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

C9H12ClN3 — CID 103761593

IUPAC2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2ccnc(Cl)n2)CC1
InChIInChI=1S/C9H12ClN3/c1-9(3-4-9)6-12-7-2-5-11-8(10)13-7/h2,5H,3-4,6H2,1H3,(H,11,12,13)
InChIKeyNACBLPCKQFVPAY-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.34
Rot. Bonds3

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

2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 103761593) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID103761593
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2ccnc(Cl)n2)CC1
InChIInChI=1S/C9H12ClN3/c1-9(3-4-9)6-12-7-2-5-11-8(10)13-7/h2,5H,3-4,6H2,1H3,(H,11,12,13)
InChIKeyNACBLPCKQFVPAY-UHFFFAOYSA-N
XLogP2.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
CID 80703179
2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
CID 103989622
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761521
3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107269638
N-but-2-ynyl-2-chloropyrimidin-4-amine
CID 103918065
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
6-bromo-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143626
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
CID 130556405
3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 103748441
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 62344273
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine (CID 103761593) is 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine is CC1(CNc2ccnc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is NACBLPCKQFVPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-9(3-4-9)6-12-7-2-5-11-8(10)13-7/h2,5H,3-4,6H2,1H3,(H,11,12,13).
What are the key properties of 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine?
2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 197.67 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103761593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).