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

C11H20N6O — CID 136972832

IUPAC5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(CN)N1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H20N6O/c1-8(6-12)16-2-4-17(5-3-16)10-9(13)11(18)15-7-14-10/h7-8H,2-6,12-13H2,1H3,(H,14,15,18)
InChIKeyODKPDMULYCSANJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.18
Rot. Bonds3

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

5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136972832) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136972832
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(CN)N1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H20N6O/c1-8(6-12)16-2-4-17(5-3-16)10-9(13)11(18)15-7-14-10/h7-8H,2-6,12-13H2,1H3,(H,14,15,18)
InChIKeyODKPDMULYCSANJ-UHFFFAOYSA-N
XLogP-1.18
TPSA104.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.18
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-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136972832) is 5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is CC(CN)N1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ODKPDMULYCSANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8(6-12)16-2-4-17(5-3-16)10-9(13)11(18)15-7-14-10/h7-8H,2-6,12-13H2,1H3,(H,14,15,18).
What are the key properties of 5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of -1.18, 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-(1-aminopropan-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136972832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).