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

C10H14BrN3 — CID 106194655

IUPAC6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(Br)nc(C(C)C)n1
InChIInChI=1S/C10H14BrN3/c1-4-5-12-9-6-8(11)13-10(14-9)7(2)3/h4,6-7H,1,5H2,2-3H3,(H,12,13,14)
InChIKeyRQXIJKQFZHFFTN-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.96
Rot. Bonds4

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

6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 106194655) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
PubChem CID106194655
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(Br)nc(C(C)C)n1
InChIInChI=1S/C10H14BrN3/c1-4-5-12-9-6-8(11)13-10(14-9)7(2)3/h4,6-7H,1,5H2,2-3H3,(H,12,13,14)
InChIKeyRQXIJKQFZHFFTN-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106196870
6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432059
1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169544
3-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145570
6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 106421682
6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106405527
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383012
2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine
CID 82460542
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
N-ethyl-6-pent-4-enoxy-2-propan-2-ylpyrimidin-4-amine
CID 80962371
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine (CID 106194655) is 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(Br)nc(C(C)C)n1.
What is the InChIKey of 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is RQXIJKQFZHFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-4-5-12-9-6-8(11)13-10(14-9)7(2)3/h4,6-7H,1,5H2,2-3H3,(H,12,13,14).
What are the key properties of 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine?
6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 256.15 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 106194655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).