N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C18H20N6 — CID 56760183

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCc3ccccc3-n3ccnc3)n1)CCNC2
InChIInChI=1S/C18H20N6/c1-13-22-16-11-19-7-6-15(16)18(23-13)21-10-14-4-2-3-5-17(14)24-9-8-20-12-24/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H,21,22,23)
InChIKeySGCVLJUADHLDDQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.23
Rot. Bonds4

About N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56760183) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56760183
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCc3ccccc3-n3ccnc3)n1)CCNC2
InChIInChI=1S/C18H20N6/c1-13-22-16-11-19-7-6-15(16)18(23-13)21-10-14-4-2-3-5-17(14)24-9-8-20-12-24/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H,21,22,23)
InChIKeySGCVLJUADHLDDQ-UHFFFAOYSA-N
XLogP2.23
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56760183) is N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(NCc3ccccc3-n3ccnc3)n1)CCNC2.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SGCVLJUADHLDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-22-16-11-19-7-6-15(16)18(23-13)21-10-14-4-2-3-5-17(14)24-9-8-20-12-24/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H,21,22,23).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56760183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).