N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine

C16H22N4O — CID 56789837

IUPACN-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOCCCN(C)c1nc(-c2ccncc2)nc(C)c1C
InChIInChI=1S/C16H22N4O/c1-12-13(2)18-15(14-6-8-17-9-7-14)19-16(12)20(3)10-5-11-21-4/h6-9H,5,10-11H2,1-4H3
InChIKeyQZPYWBUHKBSRTA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.63
Rot. Bonds6

About N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine

N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 56789837) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID56789837
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOCCCN(C)c1nc(-c2ccncc2)nc(C)c1C
InChIInChI=1S/C16H22N4O/c1-12-13(2)18-15(14-6-8-17-9-7-14)19-16(12)20(3)10-5-11-21-4/h6-9H,5,10-11H2,1-4H3
InChIKeyQZPYWBUHKBSRTA-UHFFFAOYSA-N
XLogP2.63
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 56789837) is N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine is COCCCN(C)c1nc(-c2ccncc2)nc(C)c1C.
What is the InChIKey of N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is QZPYWBUHKBSRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-13(2)18-15(14-6-8-17-9-7-14)19-16(12)20(3)10-5-11-21-4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine?
N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56789837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).