4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine

C17H21N3 — CID 133394906

IUPAC4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine
SMILESC=CCCC(Nc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C17H21N3/c1-4-5-11-16(15-9-7-6-8-10-15)20-17-18-13(2)12-14(3)19-17/h4,6-10,12,16H,1,5,11H2,2-3H3,(H,18,19,20)
InChIKeyFDMKQHBIOVRMTO-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.21
Rot. Bonds6

About 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine

4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine (PubChem CID 133394906) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine
PubChem CID133394906
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine
SMILESC=CCCC(Nc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C17H21N3/c1-4-5-11-16(15-9-7-6-8-10-15)20-17-18-13(2)12-14(3)19-17/h4,6-10,12,16H,1,5,11H2,2-3H3,(H,18,19,20)
InChIKeyFDMKQHBIOVRMTO-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine (CID 133394906) is 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine is C=CCCC(Nc1nc(C)cc(C)n1)c1ccccc1.
What is the InChIKey of 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine?
The InChIKey is FDMKQHBIOVRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-4-5-11-16(15-9-7-6-8-10-15)20-17-18-13(2)12-14(3)19-17/h4,6-10,12,16H,1,5,11H2,2-3H3,(H,18,19,20).
What are the key properties of 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine?
4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine has a molecular weight of 267.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine is sourced from PubChem (CID 133394906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).