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

C12H19IN4O — CID 136780756

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H19IN4O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyBZCBQXIVUAPXOH-UHFFFAOYSA-N
MW362.22 g/mol
LogP1.29
Rot. Bonds4

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

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136780756) has the molecular formula C12H19IN4O and a molecular weight of 362.22 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136780756
Molecular FormulaC12H19IN4O
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H19IN4O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyBZCBQXIVUAPXOH-UHFFFAOYSA-N
XLogP1.29
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
4-[(1-amino-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136757124
5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780736
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780737
4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780738
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780739
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780755
5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780757
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780760
4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136800369
4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827350
4-[5-aminopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136829857

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136780756) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one is CN(CC1(N(C)C)CCC1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is BZCBQXIVUAPXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4O/c1-16(2)12(5-4-6-12)7-17(3)10-9(13)11(18)15-8-14-10/h8H,4-7H2,1-3H3,(H,14,15,18).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 362.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136780756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).