6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine

C26H33N9O — CID 155587482

IUPAC6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine
SMILESCN(C)CCCOc1ccn2c(-c3cc(N)ncn3)cnc2c1.[H]/N=C/C(=N\NC)c1ccc(C)cc1
InChIInChI=1S/C16H20N6O.C10H13N3/c1-21(2)5-3-7-23-12-4-6-22-14(10-18-16(22)8-12)13-9-15(17)20-11-19-13;1-8-3-5-9(6-4-8)10(7-11)13-12-2/h4,6,8-11H,3,5,7H2,1-2H3,(H2,17,19,20);3-7,11-12H,1-2H3/b;11-7+,13-10+
InChIKeyVWHQUEQUOLHLHI-WEGSQBDZSA-N
MW487.61 g/mol
LogP3.27
Rot. Bonds9

About 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine

6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine (PubChem CID 155587482) has the molecular formula C26H33N9O and a molecular weight of 487.61 g/mol. Its IUPAC name is 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine.

Molecular Properties

Compound Name6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine
PubChem CID155587482
Molecular FormulaC26H33N9O
Molecular Weight487.61 g/mol
Exact Mass487.28
IUPAC Name6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine
SMILESCN(C)CCCOc1ccn2c(-c3cc(N)ncn3)cnc2c1.[H]/N=C/C(=N\NC)c1ccc(C)cc1
InChIInChI=1S/C16H20N6O.C10H13N3/c1-21(2)5-3-7-23-12-4-6-22-14(10-18-16(22)8-12)13-9-15(17)20-11-19-13;1-8-3-5-9(6-4-8)10(7-11)13-12-2/h4,6,8-11H,3,5,7H2,1-2H3,(H2,17,19,20);3-7,11-12H,1-2H3/b;11-7+,13-10+
InChIKeyVWHQUEQUOLHLHI-WEGSQBDZSA-N
XLogP3.27
TPSA129.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine?
The IUPAC name of 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine (CID 155587482) is 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine.
What is the SMILES notation for 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine?
The canonical SMILES for 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine is CN(C)CCCOc1ccn2c(-c3cc(N)ncn3)cnc2c1.[H]/N=C/C(=N\NC)c1ccc(C)cc1.
What is the InChIKey of 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine?
The InChIKey is VWHQUEQUOLHLHI-WEGSQBDZSA-N. The full InChI is InChI=1S/C16H20N6O.C10H13N3/c1-21(2)5-3-7-23-12-4-6-22-14(10-18-16(22)8-12)13-9-15(17)20-11-19-13;1-8-3-5-9(6-4-8)10(7-11)13-12-2/h4,6,8-11H,3,5,7H2,1-2H3,(H2,17,19,20);3-7,11-12H,1-2H3/b;11-7+,13-10+.
What are the key properties of 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine?
6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine has a molecular weight of 487.61 g/mol, XLogP of 3.27, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine is sourced from PubChem (CID 155587482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).