6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine

C24H29N9 — CID 139450015

IUPAC6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine
SMILESCc1cc(C)nc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCN(C)[C@@H](C)C3)n2)c1
InChIInChI=1S/C24H29N9/c1-16-11-17(2)26-20(12-16)28-24-29-21(27-19-5-7-32-8-6-25-22(32)13-19)14-23(30-24)33-10-9-31(4)18(3)15-33/h5-8,11-14,18H,9-10,15H2,1-4H3,(H2,26,27,28,29,30)/t18-/m0/s1
InChIKeyDIWJYFUJTXCSKZ-SFHVURJKSA-N
MW443.56 g/mol
LogP3.76
Rot. Bonds5

About 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine

6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine (PubChem CID 139450015) has the molecular formula C24H29N9 and a molecular weight of 443.56 g/mol. Its IUPAC name is 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine
PubChem CID139450015
Molecular FormulaC24H29N9
Molecular Weight443.56 g/mol
Exact Mass443.25
IUPAC Name6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine
SMILESCc1cc(C)nc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCN(C)[C@@H](C)C3)n2)c1
InChIInChI=1S/C24H29N9/c1-16-11-17(2)26-20(12-16)28-24-29-21(27-19-5-7-32-8-6-25-22(32)13-19)14-23(30-24)33-10-9-31(4)18(3)15-33/h5-8,11-14,18H,9-10,15H2,1-4H3,(H2,26,27,28,29,30)/t18-/m0/s1
InChIKeyDIWJYFUJTXCSKZ-SFHVURJKSA-N
XLogP3.76
TPSA86.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450216
2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 139450142
2-N-(4,6-dimethyl-2-pyridinyl)-6-N-imidazo[1,2-a]pyridin-7-yl-4-N-morpholin-4-ylpyrimidine-2,4,6-triamine
CID 139450017
6-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[6-(2-methylpropyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 139450070
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine
CID 139450238
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 145179637
4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450018
6-ethoxy-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4-diamine
CID 139450077
2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 139450206
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450029
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 145179661
[6-(3,4-dimethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80910003

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine (CID 139450015) is 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine is Cc1cc(C)nc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCN(C)[C@@H](C)C3)n2)c1.
What is the InChIKey of 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine?
The InChIKey is DIWJYFUJTXCSKZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29N9/c1-16-11-17(2)26-20(12-16)28-24-29-21(27-19-5-7-32-8-6-25-22(32)13-19)14-23(30-24)33-10-9-31(4)18(3)15-33/h5-8,11-14,18H,9-10,15H2,1-4H3,(H2,26,27,28,29,30)/t18-/m0/s1.
What are the key properties of 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine?
6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine has a molecular weight of 443.56 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 139450015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).