2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine

C10H14ClN3 — CID 103761521

IUPAC2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC1(C)CC1CNc1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3/c1-10(2)5-7(10)6-13-8-3-4-12-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyZLKRFLMHUUIDLB-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine

2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 103761521) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID103761521
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC1(C)CC1CNc1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3/c1-10(2)5-7(10)6-13-8-3-4-12-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyZLKRFLMHUUIDLB-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761593
2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414764
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
CID 80703179
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
CID 130556405
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
N-but-2-ynyl-2-chloropyrimidin-4-amine
CID 103918065
methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
CID 114108227
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
CID 103989622
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
N-[(2,2-dimethylcyclopropyl)methyl]-6-methylpyrazin-2-amine
CID 131070929
3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107269638

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine (CID 103761521) is 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine is CC1(C)CC1CNc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is ZLKRFLMHUUIDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-10(2)5-7(10)6-13-8-3-4-12-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine?
2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 211.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103761521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).