6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C21H20Cl2N4 — CID 155562089

IUPAC6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESClc1ccc(CNc2ncc3c(n2)CCN(Cc2ccccc2)C3)cc1Cl
InChIInChI=1S/C21H20Cl2N4/c22-18-7-6-16(10-19(18)23)11-24-21-25-12-17-14-27(9-8-20(17)26-21)13-15-4-2-1-3-5-15/h1-7,10,12H,8-9,11,13-14H2,(H,24,25,26)
InChIKeyCPJZELGWFDAPML-UHFFFAOYSA-N
MW399.33 g/mol
LogP4.95
Rot. Bonds5

About 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 155562089) has the molecular formula C21H20Cl2N4 and a molecular weight of 399.33 g/mol. Its IUPAC name is 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID155562089
Molecular FormulaC21H20Cl2N4
Molecular Weight399.33 g/mol
Exact Mass398.11
IUPAC Name6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESClc1ccc(CNc2ncc3c(n2)CCN(Cc2ccccc2)C3)cc1Cl
InChIInChI=1S/C21H20Cl2N4/c22-18-7-6-16(10-19(18)23)11-24-21-25-12-17-14-27(9-8-20(17)26-21)13-15-4-2-1-3-5-15/h1-7,10,12H,8-9,11,13-14H2,(H,24,25,26)
InChIKeyCPJZELGWFDAPML-UHFFFAOYSA-N
XLogP4.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 155562089) is 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Clc1ccc(CNc2ncc3c(n2)CCN(Cc2ccccc2)C3)cc1Cl.
What is the InChIKey of 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is CPJZELGWFDAPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4/c22-18-7-6-16(10-19(18)23)11-24-21-25-12-17-14-27(9-8-20(17)26-21)13-15-4-2-1-3-5-15/h1-7,10,12H,8-9,11,13-14H2,(H,24,25,26).
What are the key properties of 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 399.33 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155562089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).