2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine

C9H11Cl2N3 — CID 131244442

IUPAC2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine
SMILESCC/C=C/CNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C9H11Cl2N3/c1-2-3-4-5-12-8-6-7(10)13-9(11)14-8/h3-4,6H,2,5H2,1H3,(H,12,13,14)/b4-3+
InChIKeyNBKBRUCNZXITOM-ONEGZZNKSA-N
MW232.11 g/mol
LogP3.16
Rot. Bonds4

About 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine

2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine (PubChem CID 131244442) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine
PubChem CID131244442
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine
SMILESCC/C=C/CNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C9H11Cl2N3/c1-2-3-4-5-12-8-6-7(10)13-9(11)14-8/h3-4,6H,2,5H2,1H3,(H,12,13,14)/b4-3+
InChIKeyNBKBRUCNZXITOM-ONEGZZNKSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-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

(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 131886166
4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 130570519
2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine
CID 82460542
2-[(2,6-dichloropyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 130569693
6-chloro-N-ethyl-2-iodopyrimidin-4-amine
CID 147070006
2,6-dichloro-N-(3,5-dichlorophenyl)pyrimidin-4-amine
CID 10380610
(E)-N'-(6-chloropyrazin-2-yl)but-2-ene-1,4-diamine
CID 116650934
2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
CID 130569788
2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 130252006
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
CID 90302031
2,6-dichloro-N-methylpyrimidin-4-amine;4,6-dichloro-N-methylpyrimidin-2-amine
CID 158773351

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine (CID 131244442) is 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine is CC/C=C/CNc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine?
The InChIKey is NBKBRUCNZXITOM-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-2-3-4-5-12-8-6-7(10)13-9(11)14-8/h3-4,6H,2,5H2,1H3,(H,12,13,14)/b4-3+.
What are the key properties of 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine?
2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine has a molecular weight of 232.11 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine is sourced from PubChem (CID 131244442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).