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

C12H21N5O2 — CID 136979694

IUPAC5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)(O)CN1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H21N5O2/c1-12(2,19)7-16-3-5-17(6-4-16)10-9(13)11(18)15-8-14-10/h8,19H,3-7,13H2,1-2H3,(H,14,15,18)
InChIKeyRKDMOCMYLGCEAW-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.75
Rot. Bonds3

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

5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979694) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979694
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)(O)CN1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H21N5O2/c1-12(2,19)7-16-3-5-17(6-4-16)10-9(13)11(18)15-8-14-10/h8,19H,3-7,13H2,1-2H3,(H,14,15,18)
InChIKeyRKDMOCMYLGCEAW-UHFFFAOYSA-N
XLogP-0.75
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-Hydroxy-1-methylpiperidin-4-yl)methyl]-9-methyl-7,8-dihydropurin-6-one
CID 167160566
5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135568290
5-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135786493
5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135786494
5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726428
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822013
5-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825660
5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869190
4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136957936
5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957938
4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957939
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 136958450

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136979694) is 5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one is CC(C)(O)CN1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is RKDMOCMYLGCEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-12(2,19)7-16-3-5-17(6-4-16)10-9(13)11(18)15-8-14-10/h8,19H,3-7,13H2,1-2H3,(H,14,15,18).
What are the key properties of 5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of -0.75, 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-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).