5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine

C10H16ClN5 — CID 80823116

IUPAC5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
SMILESCN(CCNc1nc(N)ncc1Cl)C1CC1
InChIInChI=1S/C10H16ClN5/c1-16(7-2-3-7)5-4-13-9-8(11)6-14-10(12)15-9/h6-7H,2-5H2,1H3,(H3,12,13,14,15)
InChIKeyJQNVWJFVFGPQGI-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.22
Rot. Bonds5

About 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine

5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine (PubChem CID 80823116) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
PubChem CID80823116
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
SMILESCN(CCNc1nc(N)ncc1Cl)C1CC1
InChIInChI=1S/C10H16ClN5/c1-16(7-2-3-7)5-4-13-9-8(11)6-14-10(12)15-9/h6-7H,2-5H2,1H3,(H3,12,13,14,15)
InChIKeyJQNVWJFVFGPQGI-UHFFFAOYSA-N
XLogP1.22
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822914
N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine
CID 102751027
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 130505088
3-[2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118129
5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
CID 80783168
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine (CID 80823116) is 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine is CN(CCNc1nc(N)ncc1Cl)C1CC1.
What is the InChIKey of 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is JQNVWJFVFGPQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-16(7-2-3-7)5-4-13-9-8(11)6-14-10(12)15-9/h6-7H,2-5H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine?
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine has a molecular weight of 241.73 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80823116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).