3-pyrimidin-5-ylpropan-1-amine

C7H11N3 — CID 15703007

IUPAC3-pyrimidin-5-ylpropan-1-amine
SMILESNCCCc1cncnc1
InChIInChI=1S/C7H11N3/c8-3-1-2-7-4-9-6-10-5-7/h4-6H,1-3,8H2
InChIKeyVVXSHHNKFBLSFK-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.37
Rot. Bonds3

About 3-pyrimidin-5-ylpropan-1-amine

3-pyrimidin-5-ylpropan-1-amine (PubChem CID 15703007) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-pyrimidin-5-ylpropan-1-amine.

Molecular Properties

Compound Name3-pyrimidin-5-ylpropan-1-amine
PubChem CID15703007
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-pyrimidin-5-ylpropan-1-amine
SMILESNCCCc1cncnc1
InChIInChI=1S/C7H11N3/c8-3-1-2-7-4-9-6-10-5-7/h4-6H,1-3,8H2
InChIKeyVVXSHHNKFBLSFK-UHFFFAOYSA-N
XLogP0.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-ylpropan-1-amine?
The IUPAC name of 3-pyrimidin-5-ylpropan-1-amine (CID 15703007) is 3-pyrimidin-5-ylpropan-1-amine.
What is the SMILES notation for 3-pyrimidin-5-ylpropan-1-amine?
The canonical SMILES for 3-pyrimidin-5-ylpropan-1-amine is NCCCc1cncnc1.
What is the InChIKey of 3-pyrimidin-5-ylpropan-1-amine?
The InChIKey is VVXSHHNKFBLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-3-1-2-7-4-9-6-10-5-7/h4-6H,1-3,8H2.
What are the key properties of 3-pyrimidin-5-ylpropan-1-amine?
3-pyrimidin-5-ylpropan-1-amine has a molecular weight of 137.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-ylpropan-1-amine is sourced from PubChem (CID 15703007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).