N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine

C12H20N4 — CID 103353838

IUPACN-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC2(N)CCC2)nc(C)n1
InChIInChI=1S/C12H20N4/c1-3-10-7-11(16-9(2)15-10)14-8-12(13)5-4-6-12/h7H,3-6,8,13H2,1-2H3,(H,14,15,16)
InChIKeyZKMGSUIGIYXJGB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.64
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 103353838) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID103353838
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC2(N)CCC2)nc(C)n1
InChIInChI=1S/C12H20N4/c1-3-10-7-11(16-9(2)15-10)14-8-12(13)5-4-6-12/h7H,3-6,8,13H2,1-2H3,(H,14,15,16)
InChIKeyZKMGSUIGIYXJGB-UHFFFAOYSA-N
XLogP1.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 115457082
1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 81165130
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133460793
1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133461626
6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine
CID 138053302
4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136869173
6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264
N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 106252837
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 103353838) is N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCC2(N)CCC2)nc(C)n1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is ZKMGSUIGIYXJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-10-7-11(16-9(2)15-10)14-8-12(13)5-4-6-12/h7H,3-6,8,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 103353838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).