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

C12H20ClN5O — CID 136972863

IUPAC4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(CN)N1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C12H20ClN5O/c1-12(2,7-14)18-5-3-17(4-6-18)10-9(13)11(19)16-8-15-10/h8H,3-7,14H2,1-2H3,(H,15,16,19)
InChIKeyNWGOEGVPRTZLGA-UHFFFAOYSA-N
MW285.78 g/mol
LogP0.28
Rot. Bonds3

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

4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136972863) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136972863
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(CN)N1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C12H20ClN5O/c1-12(2,7-14)18-5-3-17(4-6-18)10-9(13)11(19)16-8-15-10/h8H,3-7,14H2,1-2H3,(H,15,16,19)
InChIKeyNWGOEGVPRTZLGA-UHFFFAOYSA-N
XLogP0.28
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009378
5-chloro-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979695
5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008935
5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008987
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972692
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-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136880702
5-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009232
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one
CID 137009629
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-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one (CID 136972863) is 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one is CC(C)(CN)N1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is NWGOEGVPRTZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-12(2,7-14)18-5-3-17(4-6-18)10-9(13)11(19)16-8-15-10/h8H,3-7,14H2,1-2H3,(H,15,16,19).
What are the key properties of 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one?
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 285.78 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136972863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).