2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136965435

IUPAC2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CNCC(C)C)cc(=O)[nH]2)CCC1
InChIInChI=1S/C14H23N3O2/c1-10(2)8-15-9-11-7-12(18)17-13(16-11)14(19-3)5-4-6-14/h7,10,15H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyHXHDTWZYKMZRLP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds6

About 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136965435) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136965435
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CNCC(C)C)cc(=O)[nH]2)CCC1
InChIInChI=1S/C14H23N3O2/c1-10(2)8-15-9-11-7-12(18)17-13(16-11)14(19-3)5-4-6-14/h7,10,15H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyHXHDTWZYKMZRLP-UHFFFAOYSA-N
XLogP1.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 137017949
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137017909
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773806
4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 136983286
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965445
2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963567
4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 136964163
2-(2-bromo-4-methylphenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136888685
4-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136963605

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 136965435) is 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is COC1(c2nc(CNCC(C)C)cc(=O)[nH]2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is HXHDTWZYKMZRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)8-15-9-11-7-12(18)17-13(16-11)14(19-3)5-4-6-14/h7,10,15H,4-6,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136965435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).