5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C10H18N6O — CID 136972624

IUPAC5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNCCN1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C10H18N6O/c11-1-2-15-3-5-16(6-4-15)9-8(12)10(17)14-7-13-9/h7H,1-6,11-12H2,(H,13,14,17)
InChIKeyBNSXNQGXMMXJRK-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.57
Rot. Bonds3

About 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136972624) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136972624
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNCCN1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C10H18N6O/c11-1-2-15-3-5-16(6-4-15)9-8(12)10(17)14-7-13-9/h7H,1-6,11-12H2,(H,13,14,17)
InChIKeyBNSXNQGXMMXJRK-UHFFFAOYSA-N
XLogP-1.57
TPSA104.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136972624) is 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one is NCCN1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BNSXNQGXMMXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c11-1-2-15-3-5-16(6-4-15)9-8(12)10(17)14-7-13-9/h7H,1-6,11-12H2,(H,13,14,17).
What are the key properties of 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(2-aminoethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136972624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).