6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine

C10H15ClN4 — CID 130921223

IUPAC6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine
SMILESCC[C@@H]1C[C@H]1CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H15ClN4/c1-2-6-3-7(6)5-13-9-4-8(11)14-10(12)15-9/h4,6-7H,2-3,5H2,1H3,(H3,12,13,14,15)/t6-,7+/m1/s1
InChIKeyHGUNCCZPSJLXHV-RQJHMYQMSA-N
MW226.71 g/mol
LogP2.17
Rot. Bonds4

About 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine (PubChem CID 130921223) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine
PubChem CID130921223
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine
SMILESCC[C@@H]1C[C@H]1CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H15ClN4/c1-2-6-3-7(6)5-13-9-4-8(11)14-10(12)15-9/h4,6-7H,2-3,5H2,1H3,(H3,12,13,14,15)/t6-,7+/m1/s1
InChIKeyHGUNCCZPSJLXHV-RQJHMYQMSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80734968
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 78931860
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 133353479
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 115591456
6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 78952257
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130965117
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
6-chloro-4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidine-2,4-diamine
CID 42943703
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine (CID 130921223) is 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine is CC[C@@H]1C[C@H]1CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is HGUNCCZPSJLXHV-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-2-6-3-7(6)5-13-9-4-8(11)14-10(12)15-9/h4,6-7H,2-3,5H2,1H3,(H3,12,13,14,15)/t6-,7+/m1/s1.
What are the key properties of 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 226.71 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 130921223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).