2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine

C11H13ClN4 — CID 74889398

IUPAC2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(Cl)nc2cccnc12
InChIInChI=1S/C11H13ClN4/c1-3-16(4-2)10-9-8(6-5-7-13-9)14-11(12)15-10/h5-7H,3-4H2,1-2H3
InChIKeyBVRSXOHTYPPHOK-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.52
Rot. Bonds3

About 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine

2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 74889398) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID74889398
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(Cl)nc2cccnc12
InChIInChI=1S/C11H13ClN4/c1-3-16(4-2)10-9-8(6-5-7-13-9)14-11(12)15-10/h5-7H,3-4H2,1-2H3
InChIKeyBVRSXOHTYPPHOK-UHFFFAOYSA-N
XLogP2.52
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine (CID 74889398) is 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine is CCN(CC)c1nc(Cl)nc2cccnc12.
What is the InChIKey of 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is BVRSXOHTYPPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-16(4-2)10-9-8(6-5-7-13-9)14-11(12)15-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine?
2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 74889398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).