7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine

C16H21N5 — CID 20825762

IUPAC7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)c2c(n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H21N5/c1-20(2)16-18-14-11-21(9-8-13(14)15(17)19-16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,17,18,19)
InChIKeyGXTGRJUBDKXSOR-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.68
Rot. Bonds3

About 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine

7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 20825762) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID20825762
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)c2c(n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H21N5/c1-20(2)16-18-14-11-21(9-8-13(14)15(17)19-16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,17,18,19)
InChIKeyGXTGRJUBDKXSOR-UHFFFAOYSA-N
XLogP1.68
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine (CID 20825762) is 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine is CN(C)c1nc(N)c2c(n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is GXTGRJUBDKXSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20(2)16-18-14-11-21(9-8-13(14)15(17)19-16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 283.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 20825762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).