5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one

C12H21N5O — CID 136780757

IUPAC5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7,13H2,1-3H3,(H,14,15,18)
InChIKeyHCBOGUKIECLMPP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.27
Rot. Bonds4

About 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one

5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one (PubChem CID 136780757) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
PubChem CID136780757
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7,13H2,1-3H3,(H,14,15,18)
InChIKeyHCBOGUKIECLMPP-UHFFFAOYSA-N
XLogP0.27
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
4-[tert-butyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one;ethane
CID 155698940
9-(2-methylbutan-2-yl)-7,8-dihydro-1H-purin-6-one
CID 169654968
1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea
CID 135453909
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854
5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750473
5-amino-4-(6-aminohexylamino)-1H-pyrimidin-6-one
CID 136755773

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one (CID 136780757) is 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one is CN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The InChIKey is HCBOGUKIECLMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7,13H2,1-3H3,(H,14,15,18).
What are the key properties of 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).