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

C13H22N4O2 — CID 136780759

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CC2(N(C)C)CCC2)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-16(2)13(6-5-7-13)8-17(3)11-10(19-4)12(18)15-9-14-11/h9H,5-8H2,1-4H3,(H,14,15,18)
InChIKeyDKYJNULHZABSHR-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.70
Rot. Bonds5

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

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136780759) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136780759
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CC2(N(C)C)CCC2)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-16(2)13(6-5-7-13)8-17(3)11-10(19-4)12(18)15-9-14-11/h9H,5-8H2,1-4H3,(H,14,15,18)
InChIKeyDKYJNULHZABSHR-UHFFFAOYSA-N
XLogP0.70
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
5-amino-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696645
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136780740
5-methoxy-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780980
5-methoxy-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780988
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136780759) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(C)CC2(N(C)C)CCC2)nc[nH]c1=O.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is DKYJNULHZABSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(2)13(6-5-7-13)8-17(3)11-10(19-4)12(18)15-9-14-11/h9H,5-8H2,1-4H3,(H,14,15,18).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136780759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).