2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine

C12H12ClN3O — CID 62343468

IUPAC2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESClc1nccc(N(Cc2ccco2)C2CC2)n1
InChIInChI=1S/C12H12ClN3O/c13-12-14-6-5-11(15-12)16(9-3-4-9)8-10-2-1-7-17-10/h1-2,5-7,9H,3-4,8H2
InChIKeyXQGVSEVTYMGYQP-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine

2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 62343468) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
PubChem CID62343468
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESClc1nccc(N(Cc2ccco2)C2CC2)n1
InChIInChI=1S/C12H12ClN3O/c13-12-14-6-5-11(15-12)16(9-3-4-9)8-10-2-1-7-17-10/h1-2,5-7,9H,3-4,8H2
InChIKeyXQGVSEVTYMGYQP-UHFFFAOYSA-N
XLogP2.89
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 55003502
6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine
CID 66466642
3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 55031150
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 78989121
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
CID 115773896
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 62927141
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80814460
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine (CID 62343468) is 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine is Clc1nccc(N(Cc2ccco2)C2CC2)n1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is XQGVSEVTYMGYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-12-14-6-5-11(15-12)16(9-3-4-9)8-10-2-1-7-17-10/h1-2,5-7,9H,3-4,8H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine?
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62343468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).