2-(azetidin-1-ylmethyl)pyrimidine

C8H11N3 — CID 141298122

IUPAC2-(azetidin-1-ylmethyl)pyrimidine
SMILESc1cnc(CN2CCC2)nc1
InChIInChI=1S/C8H11N3/c1-3-9-8(10-4-1)7-11-5-2-6-11/h1,3-4H,2,5-7H2
InChIKeyRYCPKSQQVLZICW-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.68
Rot. Bonds2

About 2-(azetidin-1-ylmethyl)pyrimidine

2-(azetidin-1-ylmethyl)pyrimidine (PubChem CID 141298122) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)pyrimidine
PubChem CID141298122
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(azetidin-1-ylmethyl)pyrimidine
SMILESc1cnc(CN2CCC2)nc1
InChIInChI=1S/C8H11N3/c1-3-9-8(10-4-1)7-11-5-2-6-11/h1,3-4H,2,5-7H2
InChIKeyRYCPKSQQVLZICW-UHFFFAOYSA-N
XLogP0.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 171388409
3-propan-2-yl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64856484
1-(pyrimidin-2-ylmethyl)piperidine-3-carbaldehyde
CID 62698844
N,4-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 115305313
2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine
CID 66805437
1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethanone
CID 63845978
2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine
CID 58278816
2-(piperidin-1-ylmethyl)pyrimidin-4-amine
CID 82278529
2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]pyrimidine
CID 82691618
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898
[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)pyrimidine?
The IUPAC name of 2-(azetidin-1-ylmethyl)pyrimidine (CID 141298122) is 2-(azetidin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)pyrimidine?
The canonical SMILES for 2-(azetidin-1-ylmethyl)pyrimidine is c1cnc(CN2CCC2)nc1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)pyrimidine?
The InChIKey is RYCPKSQQVLZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-9-8(10-4-1)7-11-5-2-6-11/h1,3-4H,2,5-7H2.
What are the key properties of 2-(azetidin-1-ylmethyl)pyrimidine?
2-(azetidin-1-ylmethyl)pyrimidine has a molecular weight of 149.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 141298122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).