5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one

C12H20N4O — CID 136731876

IUPAC5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(C)C1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H20N4O/c1-8(2)9-3-5-16(6-4-9)11-10(13)12(17)15-7-14-11/h7-9H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyWDBNSIWCYHTFPB-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.22
Rot. Bonds2

About 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136731876) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136731876
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(C)C1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H20N4O/c1-8(2)9-3-5-16(6-4-9)11-10(13)12(17)15-7-14-11/h7-9H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyWDBNSIWCYHTFPB-UHFFFAOYSA-N
XLogP1.22
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136990019
5-amino-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009794
5-amino-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 28908141
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135568323
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136731876) is 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is CC(C)C1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is WDBNSIWCYHTFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)9-3-5-16(6-4-9)11-10(13)12(17)15-7-14-11/h7-9H,3-6,13H2,1-2H3,(H,14,15,17).
What are the key properties of 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136731876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).