4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine

C10H10ClN3 — CID 143391572

IUPAC4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine
SMILESClc1ccnc(NC2=CCCC=C2)n1
InChIInChI=1S/C10H10ClN3/c11-9-6-7-12-10(14-9)13-8-4-2-1-3-5-8/h2,4-7H,1,3H2,(H,12,13,14)
InChIKeyGFJANTSZVBHCJN-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.78
Rot. Bonds2

About 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine

4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine (PubChem CID 143391572) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine
PubChem CID143391572
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine
SMILESClc1ccnc(NC2=CCCC=C2)n1
InChIInChI=1S/C10H10ClN3/c11-9-6-7-12-10(14-9)13-8-4-2-1-3-5-8/h2,4-7H,1,3H2,(H,12,13,14)
InChIKeyGFJANTSZVBHCJN-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-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

N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine
CID 118237983
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 146569746
4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine
CID 58495643
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine
CID 152506703
2-N-cyclohexa-1,5-dien-1-yl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidine-2,4-diamine
CID 68817102
3-N-cyclohexa-1,5-dien-1-ylbenzene-1,3-diamine
CID 156839435
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
2,4-dichloropyrimidine;hydrochloride
CID 75485240
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
N-(4-chloropyrimidin-2-yl)-1,1-dioxothiolane-3-sulfonamide
CID 114052602

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine (CID 143391572) is 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine is Clc1ccnc(NC2=CCCC=C2)n1.
What is the InChIKey of 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine?
The InChIKey is GFJANTSZVBHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-6-7-12-10(14-9)13-8-4-2-1-3-5-8/h2,4-7H,1,3H2,(H,12,13,14).
What are the key properties of 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine?
4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine has a molecular weight of 207.66 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexa-1,5-dien-1-ylpyrimidin-2-amine is sourced from PubChem (CID 143391572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).