6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine

C10H15N3 — CID 62142623

IUPAC6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C(C)C)ncn1
InChIInChI=1S/C10H15N3/c1-4-5-11-10-6-9(8(2)3)12-7-13-10/h4,6-8H,1,5H2,2-3H3,(H,11,12,13)
InChIKeyKJSJSKJLOYLYDJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.20
Rot. Bonds4

About 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine

6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 62142623) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
PubChem CID62142623
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C(C)C)ncn1
InChIInChI=1S/C10H15N3/c1-4-5-11-10-6-9(8(2)3)12-7-13-10/h4,6-8H,1,5H2,2-3H3,(H,11,12,13)
InChIKeyKJSJSKJLOYLYDJ-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.20
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-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine
CID 126848400
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 64531496
6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293653
N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
CID 55151659
1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
CID 103731287

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine (CID 62142623) is 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(C(C)C)ncn1.
What is the InChIKey of 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is KJSJSKJLOYLYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-5-11-10-6-9(8(2)3)12-7-13-10/h4,6-8H,1,5H2,2-3H3,(H,11,12,13).
What are the key properties of 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine?
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 177.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 62142623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).