6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine

C10H15ClN4 — CID 115591456

IUPAC6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
SMILESCC(CNc1cc(Cl)nc(N)n1)C1CC1
InChIInChI=1S/C10H15ClN4/c1-6(7-2-3-7)5-13-9-4-8(11)14-10(12)15-9/h4,6-7H,2-3,5H2,1H3,(H3,12,13,14,15)
InChIKeyNHNNFFXUHPONMC-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.17
Rot. Bonds4

About 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine

6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine (PubChem CID 115591456) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
PubChem CID115591456
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
SMILESCC(CNc1cc(Cl)nc(N)n1)C1CC1
InChIInChI=1S/C10H15ClN4/c1-6(7-2-3-7)5-13-9-4-8(11)14-10(12)15-9/h4,6-7H,2-3,5H2,1H3,(H3,12,13,14,15)
InChIKeyNHNNFFXUHPONMC-UHFFFAOYSA-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-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
2,6-dichloro-1-N-(2-cyclopropylpropyl)benzene-1,4-diamine
CID 106890779
5-chloro-N-(2-cyclopropylpropyl)pyridin-2-amine
CID 115658742
(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
CID 52538522
1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
CID 47089938
6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80734968
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol
CID 104924180
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine
CID 130921223
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 78931860

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine (CID 115591456) is 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine is CC(CNc1cc(Cl)nc(N)n1)C1CC1.
What is the InChIKey of 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine?
The InChIKey is NHNNFFXUHPONMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-6(7-2-3-7)5-13-9-4-8(11)14-10(12)15-9/h4,6-7H,2-3,5H2,1H3,(H3,12,13,14,15).
What are the key properties of 6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2-cyclopropylpropyl)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-(2-cyclopropylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 115591456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).