N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine

C12H16N4 — CID 123176778

IUPACN,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine
SMILESCCc1ncc2ccnc(N(C)CC)c2n1
InChIInChI=1S/C12H16N4/c1-4-10-14-8-9-6-7-13-12(11(9)15-10)16(3)5-2/h6-8H,4-5H2,1-3H3
InChIKeyDTURXCVRNULHQT-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.04
Rot. Bonds3

About N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine

N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine (PubChem CID 123176778) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound NameN,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine
PubChem CID123176778
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine
SMILESCCc1ncc2ccnc(N(C)CC)c2n1
InChIInChI=1S/C12H16N4/c1-4-10-14-8-9-6-7-13-12(11(9)15-10)16(3)5-2/h6-8H,4-5H2,1-3H3
InChIKeyDTURXCVRNULHQT-UHFFFAOYSA-N
XLogP2.04
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine (CID 123176778) is N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine is CCc1ncc2ccnc(N(C)CC)c2n1.
What is the InChIKey of N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is DTURXCVRNULHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-10-14-8-9-6-7-13-12(11(9)15-10)16(3)5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine?
N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 216.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-methylpyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 123176778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).