N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine

C9H12ClN3 — CID 115455827

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESClCC1(CNc2ncccn2)CC1
InChIInChI=1S/C9H12ClN3/c10-6-9(2-3-9)7-13-8-11-4-1-5-12-8/h1,4-5H,2-3,6-7H2,(H,11,12,13)
InChIKeyZBDPJPNJYSLOKY-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.91
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine

N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine (PubChem CID 115455827) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine
PubChem CID115455827
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESClCC1(CNc2ncccn2)CC1
InChIInChI=1S/C9H12ClN3/c10-6-9(2-3-9)7-13-8-11-4-1-5-12-8/h1,4-5H,2-3,6-7H2,(H,11,12,13)
InChIKeyZBDPJPNJYSLOKY-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115455727
5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 114757745
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-fluoropyrimidin-2-amine
CID 104606755
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103969232
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine
CID 83062656
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 63822155
N-[(1-methylcyclobutyl)methyl]pyrimidin-2-amine
CID 103736890
N-[[1-(chloromethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
CID 115455809
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
CID 113294684
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 115455673
2-[1-[[(3-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755799

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine (CID 115455827) is N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine is ClCC1(CNc2ncccn2)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The InChIKey is ZBDPJPNJYSLOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-6-9(2-3-9)7-13-8-11-4-1-5-12-8/h1,4-5H,2-3,6-7H2,(H,11,12,13).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine?
N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 115455827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).