1,4-dihydropyrimidin-2-ylmethanamine;ethane

C7H15N3 — CID 145189920

IUPAC1,4-dihydropyrimidin-2-ylmethanamine;ethane
SMILESCC.NCC1=NCC=CN1
InChIInChI=1S/C5H9N3.C2H6/c6-4-5-7-2-1-3-8-5;1-2/h1-2H,3-4,6H2,(H,7,8);1-2H3
InChIKeyVCBUEDSFEKISCQ-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.49
Rot. Bonds1

About 1,4-dihydropyrimidin-2-ylmethanamine;ethane

1,4-dihydropyrimidin-2-ylmethanamine;ethane (PubChem CID 145189920) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1,4-dihydropyrimidin-2-ylmethanamine;ethane.

Molecular Properties

Compound Name1,4-dihydropyrimidin-2-ylmethanamine;ethane
PubChem CID145189920
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1,4-dihydropyrimidin-2-ylmethanamine;ethane
SMILESCC.NCC1=NCC=CN1
InChIInChI=1S/C5H9N3.C2H6/c6-4-5-7-2-1-3-8-5;1-2/h1-2H,3-4,6H2,(H,7,8);1-2H3
InChIKeyVCBUEDSFEKISCQ-UHFFFAOYSA-N
XLogP0.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrimidin-2-ylmethanamine;ethane?
The IUPAC name of 1,4-dihydropyrimidin-2-ylmethanamine;ethane (CID 145189920) is 1,4-dihydropyrimidin-2-ylmethanamine;ethane.
What is the SMILES notation for 1,4-dihydropyrimidin-2-ylmethanamine;ethane?
The canonical SMILES for 1,4-dihydropyrimidin-2-ylmethanamine;ethane is CC.NCC1=NCC=CN1.
What is the InChIKey of 1,4-dihydropyrimidin-2-ylmethanamine;ethane?
The InChIKey is VCBUEDSFEKISCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C2H6/c6-4-5-7-2-1-3-8-5;1-2/h1-2H,3-4,6H2,(H,7,8);1-2H3.
What are the key properties of 1,4-dihydropyrimidin-2-ylmethanamine;ethane?
1,4-dihydropyrimidin-2-ylmethanamine;ethane has a molecular weight of 141.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrimidin-2-ylmethanamine;ethane is sourced from PubChem (CID 145189920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).