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

C12H21N5O2 — CID 136972830

IUPAC4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN(C(C)CN)CC2)nc[nH]c1=O
InChIInChI=1S/C12H21N5O2/c1-9(7-13)16-3-5-17(6-4-16)11-10(19-2)12(18)15-8-14-11/h8-9H,3-7,13H2,1-2H3,(H,14,15,18)
InChIKeyFRCVZKIXELCNMU-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.75
Rot. Bonds4

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

4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136972830) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136972830
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN(C(C)CN)CC2)nc[nH]c1=O
InChIInChI=1S/C12H21N5O2/c1-9(7-13)16-3-5-17(6-4-16)11-10(19-2)12(18)15-8-14-11/h8-9H,3-7,13H2,1-2H3,(H,14,15,18)
InChIKeyFRCVZKIXELCNMU-UHFFFAOYSA-N
XLogP-0.75
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136972830) is 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCN(C(C)CN)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is FRCVZKIXELCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(7-13)16-3-5-17(6-4-16)11-10(19-2)12(18)15-8-14-11/h8-9H,3-7,13H2,1-2H3,(H,14,15,18).
What are the key properties of 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136972830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).