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

C24H28N8O2 — CID 139450069

IUPAC2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCCCCOc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H28N8O2/c1-2-3-12-34-23-5-4-19(17-26-23)28-24-29-20(16-22(30-24)32-10-13-33-14-11-32)27-18-6-8-31-9-7-25-21(31)15-18/h4-9,15-17H,2-3,10-14H2,1H3,(H2,27,28,29,30)
InChIKeyHKYDSIQIIBJJAM-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.02
Rot. Bonds9

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

2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 139450069) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID139450069
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCCCCOc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H28N8O2/c1-2-3-12-34-23-5-4-19(17-26-23)28-24-29-20(16-22(30-24)32-10-13-33-14-11-32)27-18-6-8-31-9-7-25-21(31)15-18/h4-9,15-17H,2-3,10-14H2,1H3,(H2,27,28,29,30)
InChIKeyHKYDSIQIIBJJAM-UHFFFAOYSA-N
XLogP4.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 139450095
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-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450018
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
3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
CID 145179646
N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide
CID 145179634
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-[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-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 145179661
2-chloro-N-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 59198392
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

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 139450069) is 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine is CCCCOc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is HKYDSIQIIBJJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-2-3-12-34-23-5-4-19(17-26-23)28-24-29-20(16-22(30-24)32-10-13-33-14-11-32)27-18-6-8-31-9-7-25-21(31)15-18/h4-9,15-17H,2-3,10-14H2,1H3,(H2,27,28,29,30).
What are the key properties of 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine?
2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 460.54 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 139450069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).