6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine

C17H25N7O — CID 91759724

IUPAC6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine
SMILESCNc1ncc(CN(C)c2cc(C3CC(N)C3)nc(COC)n2)cn1
InChIInChI=1S/C17H25N7O/c1-19-17-20-7-11(8-21-17)9-24(2)16-6-14(12-4-13(18)5-12)22-15(23-16)10-25-3/h6-8,12-13H,4-5,9-10,18H2,1-3H3,(H,19,20,21)
InChIKeyVKEIBXXQUABKOL-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.30
Rot. Bonds7

About 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine (PubChem CID 91759724) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine
PubChem CID91759724
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine
SMILESCNc1ncc(CN(C)c2cc(C3CC(N)C3)nc(COC)n2)cn1
InChIInChI=1S/C17H25N7O/c1-19-17-20-7-11(8-21-17)9-24(2)16-6-14(12-4-13(18)5-12)22-15(23-16)10-25-3/h6-8,12-13H,4-5,9-10,18H2,1-3H3,(H,19,20,21)
InChIKeyVKEIBXXQUABKOL-UHFFFAOYSA-N
XLogP1.30
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine (CID 91759724) is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine is CNc1ncc(CN(C)c2cc(C3CC(N)C3)nc(COC)n2)cn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine?
The InChIKey is VKEIBXXQUABKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-19-17-20-7-11(8-21-17)9-24(2)16-6-14(12-4-13(18)5-12)22-15(23-16)10-25-3/h6-8,12-13H,4-5,9-10,18H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine has a molecular weight of 343.44 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 91759724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).