6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine

C16H25N7O — CID 91760423

IUPAC6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCC(C)Cc1noc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)n1
InChIInChI=1S/C16H25N7O/c1-9(2)4-13-20-15(24-22-13)8-23(3)14-7-12(19-16(18)21-14)10-5-11(17)6-10/h7,9-11H,4-6,8,17H2,1-3H3,(H2,18,19,21)
InChIKeyMSMADGQVYKKQBD-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.48
Rot. Bonds6

About 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 91760423) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine
PubChem CID91760423
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCC(C)Cc1noc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)n1
InChIInChI=1S/C16H25N7O/c1-9(2)4-13-20-15(24-22-13)8-23(3)14-7-12(19-16(18)21-14)10-5-11(17)6-10/h7,9-11H,4-6,8,17H2,1-3H3,(H2,18,19,21)
InChIKeyMSMADGQVYKKQBD-UHFFFAOYSA-N
XLogP1.48
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine (CID 91760423) is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine is CC(C)Cc1noc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is MSMADGQVYKKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-9(2)4-13-20-15(24-22-13)8-23(3)14-7-12(19-16(18)21-14)10-5-11(17)6-10/h7,9-11H,4-6,8,17H2,1-3H3,(H2,18,19,21).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 331.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91760423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).