1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine

C10H15N3 — CID 62760766

IUPAC1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncn1)C1CC1
InChIInChI=1S/C10H15N3/c1-8(9-2-3-9)12-6-10-4-5-11-7-13-10/h4-5,7-9,12H,2-3,6H2,1H3
InChIKeyHIPUJYKKNPZYET-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.36
Rot. Bonds4

About 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine

1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 62760766) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID62760766
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncn1)C1CC1
InChIInChI=1S/C10H15N3/c1-8(9-2-3-9)12-6-10-4-5-11-7-13-10/h4-5,7-9,12H,2-3,6H2,1H3
InChIKeyHIPUJYKKNPZYET-UHFFFAOYSA-N
XLogP1.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine (CID 62760766) is 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine is CC(NCc1ccncn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is HIPUJYKKNPZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(9-2-3-9)12-6-10-4-5-11-7-13-10/h4-5,7-9,12H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine?
1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 62760766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).