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

C26H32N8 — CID 139450070

IUPAC6-[(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
SMILESCC(C)Cc1cccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3C[C@@H](C)[C@H](C)C3)n2)n1
InChIInChI=1S/C26H32N8/c1-17(2)12-20-6-5-7-22(28-20)30-26-31-23(14-25(32-26)34-15-18(3)19(4)16-34)29-21-8-10-33-11-9-27-24(33)13-21/h5-11,13-14,17-19H,12,15-16H2,1-4H3,(H2,28,29,30,31,32)/t18-,19-/m1/s1
InChIKeyZMOWRSCRVKJULE-RTBURBONSA-N
MW456.60 g/mol
LogP5.30
Rot. Bonds7

About 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

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 (PubChem CID 139450070) has the molecular formula C26H32N8 and a molecular weight of 456.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID139450070
Molecular FormulaC26H32N8
Molecular Weight456.60 g/mol
Exact Mass456.27
IUPAC Name6-[(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
SMILESCC(C)Cc1cccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3C[C@@H](C)[C@H](C)C3)n2)n1
InChIInChI=1S/C26H32N8/c1-17(2)12-20-6-5-7-22(28-20)30-26-31-23(14-25(32-26)34-15-18(3)19(4)16-34)29-21-8-10-33-11-9-27-24(33)13-21/h5-11,13-14,17-19H,12,15-16H2,1-4H3,(H2,28,29,30,31,32)/t18-,19-/m1/s1
InChIKeyZMOWRSCRVKJULE-RTBURBONSA-N
XLogP5.30
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cc1cccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3C[C@@H](C)[C@H](C)C3)n2)n1.
What is the InChIKey of 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?
The InChIKey is ZMOWRSCRVKJULE-RTBURBONSA-N. The full InChI is InChI=1S/C26H32N8/c1-17(2)12-20-6-5-7-22(28-20)30-26-31-23(14-25(32-26)34-15-18(3)19(4)16-34)29-21-8-10-33-11-9-27-24(33)13-21/h5-11,13-14,17-19H,12,15-16H2,1-4H3,(H2,28,29,30,31,32)/t18-,19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 456.60 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139450070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).