2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine

C9H12ClN3 — CID 82460542

IUPAC2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(CC)nc(Cl)n1
InChIInChI=1S/C9H12ClN3/c1-3-5-11-8-6-7(4-2)12-9(10)13-8/h3,6H,1,4-5H2,2H3,(H,11,12,13)
InChIKeyNYIOWFWVEQNZJF-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.29
Rot. Bonds4

About 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine

2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 82460542) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine
PubChem CID82460542
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(CC)nc(Cl)n1
InChIInChI=1S/C9H12ClN3/c1-3-5-11-8-6-7(4-2)12-9(10)13-8/h3,6H,1,4-5H2,2H3,(H,11,12,13)
InChIKeyNYIOWFWVEQNZJF-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.29
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

N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82460551
2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
CID 130512695
2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
CID 82460547
2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82460544
4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867710
2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine
CID 131244442
6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 106194655
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907755
2-chloro-N-octyl-6-propylpyrimidin-4-amine
CID 82460778
2-chloro-6-ethyl-N-(9-methoxynonan-3-yl)pyrimidin-4-amine
CID 131716403
2,6-difluoro-N-prop-2-enylpyrimidin-4-amine
CID 164647775

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine (CID 82460542) is 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(CC)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is NYIOWFWVEQNZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-3-5-11-8-6-7(4-2)12-9(10)13-8/h3,6H,1,4-5H2,2H3,(H,11,12,13).
What are the key properties of 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine?
2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 197.67 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 82460542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).