4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one

C12H19ClN4O — CID 137009378

IUPAC4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(C)N1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C12H19ClN4O/c1-12(2,3)17-6-4-16(5-7-17)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyDNEXUAHFSOIPLH-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.34
Rot. Bonds1

About 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one

4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one (PubChem CID 137009378) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one
PubChem CID137009378
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(C)N1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C12H19ClN4O/c1-12(2,3)17-6-4-16(5-7-17)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyDNEXUAHFSOIPLH-UHFFFAOYSA-N
XLogP1.34
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972863
5-chloro-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979695
5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008987
5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008935
4-(4-acetyl-1,4-diazepan-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009347
5-chloro-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879306
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972692
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one
CID 137009629
5-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009232
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-2-one
CID 137009721
5-chloro-4-[3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978058

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one (CID 137009378) is 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one is CC(C)(C)N1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is DNEXUAHFSOIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-12(2,3)17-6-4-16(5-7-17)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18).
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one?
4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 270.76 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 137009378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).