6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine

C12H19N3 — CID 126848400

IUPAC6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C(CC)CC)ncn1
InChIInChI=1S/C12H19N3/c1-4-7-13-12-8-11(14-9-15-12)10(5-2)6-3/h4,8-10H,1,5-7H2,2-3H3,(H,13,14,15)
InChIKeyUMVPSCMKFVVOGC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.98
Rot. Bonds6

About 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine

6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 126848400) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine
PubChem CID126848400
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C(CC)CC)ncn1
InChIInChI=1S/C12H19N3/c1-4-7-13-12-8-11(14-9-15-12)10(5-2)6-3/h4,8-10H,1,5-7H2,2-3H3,(H,13,14,15)
InChIKeyUMVPSCMKFVVOGC-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
tert-butyl N-[3-[(6-pentan-3-ylpyrimidin-4-yl)amino]propyl]carbamate
CID 126849670
4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854964
N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339520
N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339512
4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854982
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
CID 126848416
2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile
CID 126848650
4-N-(5-chloro-2-methylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854987
N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine
CID 126848892
N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339596

Frequently Asked Questions

What is the IUPAC name of 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine (CID 126848400) is 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(C(CC)CC)ncn1.
What is the InChIKey of 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is UMVPSCMKFVVOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-7-13-12-8-11(14-9-15-12)10(5-2)6-3/h4,8-10H,1,5-7H2,2-3H3,(H,13,14,15).
What are the key properties of 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine?
6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 126848400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).