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

C12H20N4O2 — CID 136780740

IUPAC4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(N(C)C)CCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-16(2)12(5-4-6-12)7-13-10-9(18-3)11(17)15-8-14-10/h8H,4-7H2,1-3H3,(H2,13,14,15,17)
InChIKeyGYPZFBFFAMDFHN-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.67
Rot. Bonds5

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

4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136780740) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136780740
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(N(C)C)CCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-16(2)12(5-4-6-12)7-13-10-9(18-3)11(17)15-8-14-10/h8H,4-7H2,1-3H3,(H2,13,14,15,17)
InChIKeyGYPZFBFFAMDFHN-UHFFFAOYSA-N
XLogP0.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
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]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136780759
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]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136780740) is 4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(N(C)C)CCC2)nc[nH]c1=O.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is GYPZFBFFAMDFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(2)12(5-4-6-12)7-13-10-9(18-3)11(17)15-8-14-10/h8H,4-7H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136780740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).