5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine

C10H14ClN3 — CID 130890848

IUPAC5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
SMILESCC1(CCNc2ncncc2Cl)CC1
InChIInChI=1S/C10H14ClN3/c1-10(2-3-10)4-5-13-9-8(11)6-12-7-14-9/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyLYGWBQSIKFUUQQ-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine

5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine (PubChem CID 130890848) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
PubChem CID130890848
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
SMILESCC1(CCNc2ncncc2Cl)CC1
InChIInChI=1S/C10H14ClN3/c1-10(2-3-10)4-5-13-9-8(11)6-12-7-14-9/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyLYGWBQSIKFUUQQ-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 102975963
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
5-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 102975885
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 105369731
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 105369215
[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
CID 105369688
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine (CID 130890848) is 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine is CC1(CCNc2ncncc2Cl)CC1.
What is the InChIKey of 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine?
The InChIKey is LYGWBQSIKFUUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-10(2-3-10)4-5-13-9-8(11)6-12-7-14-9/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine?
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine has a molecular weight of 211.70 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 130890848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).