2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one

C18H24N6O — CID 136664988

IUPAC2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCNc2cc(C3CC(N)C3)nc(C3CC3)n2)n1
InChIInChI=1S/C18H24N6O/c1-10-6-17(25)23-15(21-10)4-5-20-16-9-14(12-7-13(19)8-12)22-18(24-16)11-2-3-11/h6,9,11-13H,2-5,7-8,19H2,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyYXTGLAVGAARXSB-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.61
Rot. Bonds6

About 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one

2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136664988) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136664988
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCNc2cc(C3CC(N)C3)nc(C3CC3)n2)n1
InChIInChI=1S/C18H24N6O/c1-10-6-17(25)23-15(21-10)4-5-20-16-9-14(12-7-13(19)8-12)22-18(24-16)11-2-3-11/h6,9,11-13H,2-5,7-8,19H2,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyYXTGLAVGAARXSB-UHFFFAOYSA-N
XLogP1.61
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one;dihydrochloride
CID 154902596
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 91790373
1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride
CID 154902473
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 91761753
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 91795318
6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 91782142
6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91768815
6-(3-aminocyclobutyl)-N-(2-cyclohexylsulfanylethyl)-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901879
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901872
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902388
N'-[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]-N-pyridin-3-ylethane-1,2-diamine;dihydrochloride
CID 154902435
4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136662070

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one (CID 136664988) is 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CCNc2cc(C3CC(N)C3)nc(C3CC3)n2)n1.
What is the InChIKey of 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YXTGLAVGAARXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-10-6-17(25)23-15(21-10)4-5-20-16-9-14(12-7-13(19)8-12)22-18(24-16)11-2-3-11/h6,9,11-13H,2-5,7-8,19H2,1H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 340.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136664988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).