4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine

C14H21N3S — CID 72839959

IUPAC4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
SMILESCSCC1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C14H21N3S/c1-18-9-11-3-2-6-17(8-11)14-7-13(12-4-5-12)15-10-16-14/h7,10-12H,2-6,8-9H2,1H3
InChIKeyQJUWYUHXHKXWHZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.93
Rot. Bonds4

About 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine

4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine (PubChem CID 72839959) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
PubChem CID72839959
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
SMILESCSCC1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C14H21N3S/c1-18-9-11-3-2-6-17(8-11)14-7-13(12-4-5-12)15-10-16-14/h7,10-12H,2-6,8-9H2,1H3
InChIKeyQJUWYUHXHKXWHZ-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 72855194
4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 167796179
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
(3R)-1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-amine
CID 106973343
4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
CID 56889035
2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701723
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine (CID 72839959) is 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine is CSCC1CCCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine?
The InChIKey is QJUWYUHXHKXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-18-9-11-3-2-6-17(8-11)14-7-13(12-4-5-12)15-10-16-14/h7,10-12H,2-6,8-9H2,1H3.
What are the key properties of 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine?
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine has a molecular weight of 263.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72839959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).