N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C16H17N5 — CID 135368321

IUPACN,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H17N5/c1-3-21(4-2)16-13-7-10-18-11-14(13)19-15(20-16)12-5-8-17-9-6-12/h5-11H,3-4H2,1-2H3
InChIKeyPGOCRNZIASOKRK-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.93
Rot. Bonds4

About N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368321) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368321
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H17N5/c1-3-21(4-2)16-13-7-10-18-11-14(13)19-15(20-16)12-5-8-17-9-6-12/h5-11H,3-4H2,1-2H3
InChIKeyPGOCRNZIASOKRK-UHFFFAOYSA-N
XLogP2.93
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368321) is N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CCN(CC)c1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is PGOCRNZIASOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-3-21(4-2)16-13-7-10-18-11-14(13)19-15(20-16)12-5-8-17-9-6-12/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).