4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine

C13H18ClN3 — CID 129380887

IUPAC4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
SMILESC[C@@H]1CCCN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C13H18ClN3/c1-9-3-2-6-17(8-9)12-7-11(14)15-13(16-12)10-4-5-10/h7,9-10H,2-6,8H2,1H3/t9-/m1/s1
InChIKeySTUFXOBTPQMJRX-SECBINFHSA-N
MW251.76 g/mol
LogP3.24
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine

4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine (PubChem CID 129380887) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
PubChem CID129380887
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
SMILESC[C@@H]1CCCN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C13H18ClN3/c1-9-3-2-6-17(8-9)12-7-11(14)15-13(16-12)10-4-5-10/h7,9-10H,2-6,8H2,1H3/t9-/m1/s1
InChIKeySTUFXOBTPQMJRX-SECBINFHSA-N
XLogP3.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
methyl 2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444450
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80950703
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108646
1-[4-chloro-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-3-(1-phenylethyl)thiourea
CID 133197469

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine (CID 129380887) is 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine is C[C@@H]1CCCN(c2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine?
The InChIKey is STUFXOBTPQMJRX-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9-3-2-6-17(8-9)12-7-11(14)15-13(16-12)10-4-5-10/h7,9-10H,2-6,8H2,1H3/t9-/m1/s1.
What are the key properties of 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine?
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine has a molecular weight of 251.76 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 129380887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).