3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine

C9H15N3 — CID 91351396

IUPAC3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine
SMILESC1=CN=CN(CN2CCCC2)C1
InChIInChI=1S/C9H15N3/c1-2-6-11(5-1)9-12-7-3-4-10-8-12/h3-4,8H,1-2,5-7,9H2
InChIKeyTZXBQHHWWDEZBE-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.90
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine

3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine (PubChem CID 91351396) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine
PubChem CID91351396
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine
SMILESC1=CN=CN(CN2CCCC2)C1
InChIInChI=1S/C9H15N3/c1-2-6-11(5-1)9-12-7-3-4-10-8-12/h3-4,8H,1-2,5-7,9H2
InChIKeyTZXBQHHWWDEZBE-UHFFFAOYSA-N
XLogP0.90
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine (CID 91351396) is 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine is C1=CN=CN(CN2CCCC2)C1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine?
The InChIKey is TZXBQHHWWDEZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-6-11(5-1)9-12-7-3-4-10-8-12/h3-4,8H,1-2,5-7,9H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine?
3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine has a molecular weight of 165.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-4H-pyrimidine is sourced from PubChem (CID 91351396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).