N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C15H18N4O — CID 117102079

IUPACN-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C15H18N4O/c1-20-15-18-13-7-8-16-10-12(13)14(19-15)17-9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H,17,18,19)
InChIKeyWDDIJWCEIZXWQN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.74
Rot. Bonds4

About N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 117102079) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID117102079
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C15H18N4O/c1-20-15-18-13-7-8-16-10-12(13)14(19-15)17-9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H,17,18,19)
InChIKeyWDDIJWCEIZXWQN-UHFFFAOYSA-N
XLogP1.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 117102079) is N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is COc1nc2c(c(NCc3ccccc3)n1)CNCC2.
What is the InChIKey of N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is WDDIJWCEIZXWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-15-18-13-7-8-16-10-12(13)14(19-15)17-9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 270.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 117102079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).