N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine

C16H19N5O — CID 89333428

IUPACN-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine
SMILESC=CC/C=C\c1cnc(C)nc1N(C)c1ncc(OC)cn1
InChIInChI=1S/C16H19N5O/c1-5-6-7-8-13-9-17-12(2)20-15(13)21(3)16-18-10-14(22-4)11-19-16/h5,7-11H,1,6H2,2-4H3/b8-7-
InChIKeyWHENMPBMUCELOH-FPLPWBNLSA-N
MW297.36 g/mol
LogP2.94
Rot. Bonds6

About N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine

N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine (PubChem CID 89333428) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine
PubChem CID89333428
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine
SMILESC=CC/C=C\c1cnc(C)nc1N(C)c1ncc(OC)cn1
InChIInChI=1S/C16H19N5O/c1-5-6-7-8-13-9-17-12(2)20-15(13)21(3)16-18-10-14(22-4)11-19-16/h5,7-11H,1,6H2,2-4H3/b8-7-
InChIKeyWHENMPBMUCELOH-FPLPWBNLSA-N
XLogP2.94
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine?
The IUPAC name of N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine (CID 89333428) is N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine?
The canonical SMILES for N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine is C=CC/C=C\c1cnc(C)nc1N(C)c1ncc(OC)cn1.
What is the InChIKey of N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine?
The InChIKey is WHENMPBMUCELOH-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H19N5O/c1-5-6-7-8-13-9-17-12(2)20-15(13)21(3)16-18-10-14(22-4)11-19-16/h5,7-11H,1,6H2,2-4H3/b8-7-.
What are the key properties of N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine?
N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine has a molecular weight of 297.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine is sourced from PubChem (CID 89333428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).