6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine

C9H13ClN4 — CID 131052391

IUPAC6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine
SMILESCCC1(Nc2ncnc(Cl)c2N)CC1
InChIInChI=1S/C9H13ClN4/c1-2-9(3-4-9)14-8-6(11)7(10)12-5-13-8/h5H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyIRBKPVOWPDCTHI-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.07
Rot. Bonds3

About 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine

6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine (PubChem CID 131052391) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine
PubChem CID131052391
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine
SMILESCCC1(Nc2ncnc(Cl)c2N)CC1
InChIInChI=1S/C9H13ClN4/c1-2-9(3-4-9)14-8-6(11)7(10)12-5-13-8/h5H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyIRBKPVOWPDCTHI-UHFFFAOYSA-N
XLogP2.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 63023085
2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine
CID 130816032
4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine
CID 113488590
5-chloro-N-(1-ethylcyclopropyl)pyrimidin-2-amine
CID 131025838
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864514
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
6-chloro-4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79862142
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine (CID 131052391) is 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine is CCC1(Nc2ncnc(Cl)c2N)CC1.
What is the InChIKey of 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine?
The InChIKey is IRBKPVOWPDCTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-2-9(3-4-9)14-8-6(11)7(10)12-5-13-8/h5H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine has a molecular weight of 212.68 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 131052391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).