2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

C12H17ClFN3 — CID 79350346

IUPAC2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC1(C)C(CNc2nc(Cl)ncc2F)C1(C)C
InChIInChI=1S/C12H17ClFN3/c1-11(2)8(12(11,3)4)6-15-9-7(14)5-16-10(13)17-9/h5,8H,6H2,1-4H3,(H,15,16,17)
InChIKeyUPZJWJFRLUSBQA-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 79350346) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID79350346
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC1(C)C(CNc2nc(Cl)ncc2F)C1(C)C
InChIInChI=1S/C12H17ClFN3/c1-11(2)8(12(11,3)4)6-15-9-7(14)5-16-10(13)17-9/h5,8H,6H2,1-4H3,(H,15,16,17)
InChIKeyUPZJWJFRLUSBQA-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~2~-{[1-(cyclopropylmethyl)piperidin-4-yl]methyl}-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 122556027
5-fluoro-N~4~-methyl-N~2~-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 122569408
2-N-(dicyclopropylmethyl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 132412414
4-(t-Butylamino)-2-chloro-5-fluoropyrimidine
CID 22121226
2-Chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine
CID 56763783
4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
CID 58008581
4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine
CID 58008601
4-N-[(3S)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
CID 58008788
4-N-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyrimidine-2,4-diamine
CID 58008822
4-N-(2,2-dimethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 58008848
4-N-[(2R)-3,3-dimethylbutan-2-yl]-5-fluoropyrimidine-2,4-diamine
CID 58009080
2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58458942

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (CID 79350346) is 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is CC1(C)C(CNc2nc(Cl)ncc2F)C1(C)C.
What is the InChIKey of 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is UPZJWJFRLUSBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c1-11(2)8(12(11,3)4)6-15-9-7(14)5-16-10(13)17-9/h5,8H,6H2,1-4H3,(H,15,16,17).
What are the key properties of 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 257.74 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79350346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).