6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

C17H24N6O — CID 91785646

IUPAC6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)c1nc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)no1
InChIInChI=1S/C17H24N6O/c1-9(2)17-22-15(23-24-17)8-19-14-7-13(11-5-12(18)6-11)20-16(21-14)10-3-4-10/h7,9-12H,3-6,8,18H2,1-2H3,(H,19,20,21)
InChIKeyWWFBLETWOPVEHE-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.68
Rot. Bonds6

About 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 91785646) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID91785646
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)c1nc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)no1
InChIInChI=1S/C17H24N6O/c1-9(2)17-22-15(23-24-17)8-19-14-7-13(11-5-12(18)6-11)20-16(21-14)10-3-4-10/h7,9-12H,3-6,8,18H2,1-2H3,(H,19,20,21)
InChIKeyWWFBLETWOPVEHE-UHFFFAOYSA-N
XLogP2.68
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
N-[(5-Isopropyl-1,2,4-oxadiazol-3-YL)methyl]-6-methyl-2-phenylpyrimidin-4-amine
CID 50957117
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
6-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrimidin-4-amine
CID 72869158
1-({1-[6-(trans-3-Aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl}methyl)pyrrolidin-2-one
CID 91765692
2-[(2-{[6-(cis-3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino}ethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 136665366
4-Ethyl-N,N-dimethyl-6-(4-{methyl[(5-methyl-1,2,4-oxadiazol-3-YL)methyl]amino}piperidin-1-YL)pyrimidin-2-amine
CID 72839381
4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine
CID 72854349
6-cyclopropyl-N-{rel-(3R,4S)-1-[(methylamino)acetyl]-4-propyl-3-pyrrolidinyl}-4-pyrimidinamine dihydrochloride
CID 72877336
6-isopropyl-N~4~-({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyrimidine-2,4-diamine
CID 72881443
N~3~-[2-amino-6-(trans-3-aminocyclobutyl)pyrimidin-4-yl]-N~1~,N~3~-dimethyl-beta-alaninamide
CID 91766904
6-{cis-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl}-N~4~-methylpyrimidine-2,4-diamine
CID 91769546

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (CID 91785646) is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is CC(C)c1nc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)no1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is WWFBLETWOPVEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-9(2)17-22-15(23-24-17)8-19-14-7-13(11-5-12(18)6-11)20-16(21-14)10-3-4-10/h7,9-12H,3-6,8,18H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91785646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).