2-(3-propan-2-ylazetidin-1-yl)pyrimidine

C10H15N3 — CID 130933035

IUPAC2-(3-propan-2-ylazetidin-1-yl)pyrimidine
SMILESCC(C)C1CN(c2ncccn2)C1
InChIInChI=1S/C10H15N3/c1-8(2)9-6-13(7-9)10-11-4-3-5-12-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyCETNMGWIPFSBIL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.57
Rot. Bonds2

About 2-(3-propan-2-ylazetidin-1-yl)pyrimidine

2-(3-propan-2-ylazetidin-1-yl)pyrimidine (PubChem CID 130933035) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(3-propan-2-ylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-propan-2-ylazetidin-1-yl)pyrimidine
PubChem CID130933035
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-(3-propan-2-ylazetidin-1-yl)pyrimidine
SMILESCC(C)C1CN(c2ncccn2)C1
InChIInChI=1S/C10H15N3/c1-8(2)9-6-13(7-9)10-11-4-3-5-12-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyCETNMGWIPFSBIL-UHFFFAOYSA-N
XLogP1.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
(1S,5S)-8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 98255752
1-(1-pyrimidin-2-ylpiperidin-3-yl)ethanol
CID 133397978
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
3-pyrimidin-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 152707227
2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
CID 156639658
1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
CID 69067290
(3aS,6aR)-N-propan-2-yl-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97457974
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126900167

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylazetidin-1-yl)pyrimidine?
The IUPAC name of 2-(3-propan-2-ylazetidin-1-yl)pyrimidine (CID 130933035) is 2-(3-propan-2-ylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(3-propan-2-ylazetidin-1-yl)pyrimidine?
The canonical SMILES for 2-(3-propan-2-ylazetidin-1-yl)pyrimidine is CC(C)C1CN(c2ncccn2)C1.
What is the InChIKey of 2-(3-propan-2-ylazetidin-1-yl)pyrimidine?
The InChIKey is CETNMGWIPFSBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)9-6-13(7-9)10-11-4-3-5-12-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylazetidin-1-yl)pyrimidine?
2-(3-propan-2-ylazetidin-1-yl)pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 130933035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).