5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one

C12H21N5O — CID 136733816

IUPAC5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)CCCNC1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O/c1-12(2)4-3-5-14-8(12)6-15-10-9(13)11(18)17-7-16-10/h7-8,14H,3-6,13H2,1-2H3,(H2,15,16,17,18)
InChIKeyLGSHKZOCDCTMGL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.54
Rot. Bonds3

About 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136733816) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136733816
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)CCCNC1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O/c1-12(2)4-3-5-14-8(12)6-15-10-9(13)11(18)17-7-16-10/h7-8,14H,3-6,13H2,1-2H3,(H2,15,16,17,18)
InChIKeyLGSHKZOCDCTMGL-UHFFFAOYSA-N
XLogP0.54
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-7,7-dimethyl-6-propyl-3,5,6,8-tetrahydropteridin-4-one
CID 136196935
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-(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
2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
CID 136650499
2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136650500
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136687962
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136733816) is 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one is CC1(C)CCCNC1CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is LGSHKZOCDCTMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2)4-3-5-14-8(12)6-15-10-9(13)11(18)17-7-16-10/h7-8,14H,3-6,13H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136733816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).