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

C12H21N5O — CID 136912701

IUPAC5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(C)(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H21N5O/c1-12(3-5-17(2)6-4-12)7-14-10-9(13)11(18)16-8-15-10/h8H,3-7,13H2,1-2H3,(H2,14,15,16,18)
InChIKeyMPIVVHZPNTWLKA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.50
Rot. Bonds3

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

5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136912701) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136912701
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(C)(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H21N5O/c1-12(3-5-17(2)6-4-12)7-14-10-9(13)11(18)16-8-15-10/h8H,3-7,13H2,1-2H3,(H2,14,15,16,18)
InChIKeyMPIVVHZPNTWLKA-UHFFFAOYSA-N
XLogP0.50
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
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-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136912701) is 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one is CN1CCC(C)(CNc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is MPIVVHZPNTWLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(3-5-17(2)6-4-12)7-14-10-9(13)11(18)16-8-15-10/h8H,3-7,13H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136912701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).