2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine

C16H23F3N4 — CID 56861551

IUPAC2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCC1CCCCN1C1CN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C16H23F3N4/c1-12-4-2-3-9-23(12)14-10-22(11-14)15-20-8-6-13(21-15)5-7-16(17,18)19/h6,8,12,14H,2-5,7,9-11H2,1H3
InChIKeyPTJOWTRKZNIWEP-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.03
Rot. Bonds4

About 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine

2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56861551) has the molecular formula C16H23F3N4 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56861551
Molecular FormulaC16H23F3N4
Molecular Weight328.38 g/mol
Exact Mass328.19
IUPAC Name2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCC1CCCCN1C1CN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C16H23F3N4/c1-12-4-2-3-9-23(12)14-10-22(11-14)15-20-8-6-13(21-15)5-7-16(17,18)19/h6,8,12,14H,2-5,7,9-11H2,1H3
InChIKeyPTJOWTRKZNIWEP-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877238
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
cis-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 56864169
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870118
N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56872320
N,2-dimethyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine
CID 110271702
N,N,2-trimethyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine
CID 110271703
N-cyclopentyl-2-methyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine
CID 110271704
4-(1,1-Difluoroethyl)pyrimidine
CID 117864910
2-(Piperazin-1-yl)-4-(propan-2-yl)pyrimidine
CID 58990463

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56861551) is 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine is CC1CCCCN1C1CN(c2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is PTJOWTRKZNIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4/c1-12-4-2-3-9-23(12)14-10-22(11-14)15-20-8-6-13(21-15)5-7-16(17,18)19/h6,8,12,14H,2-5,7,9-11H2,1H3.
What are the key properties of 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 328.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56861551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).