[1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid

C15H26N6O2 — CID 67156427

IUPAC[1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid
SMILESCC(C)(C)CCNc1cc(N2CC(CNC(=O)O)C2)nc(N)n1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)4-5-17-11-6-12(20-13(16)19-11)21-8-10(9-21)7-18-14(22)23/h6,10,18H,4-5,7-9H2,1-3H3,(H,22,23)(H3,16,17,19,20)
InChIKeyBPOJSTFOLCUXDN-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.61
Rot. Bonds6

About [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid

[1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid (PubChem CID 67156427) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid
PubChem CID67156427
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name[1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid
SMILESCC(C)(C)CCNc1cc(N2CC(CNC(=O)O)C2)nc(N)n1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)4-5-17-11-6-12(20-13(16)19-11)21-8-10(9-21)7-18-14(22)23/h6,10,18H,4-5,7-9H2,1-3H3,(H,22,23)(H3,16,17,19,20)
InChIKeyBPOJSTFOLCUXDN-UHFFFAOYSA-N
XLogP1.61
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid 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 [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid?
The IUPAC name of [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid (CID 67156427) is [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid.
What is the SMILES notation for [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid?
The canonical SMILES for [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid is CC(C)(C)CCNc1cc(N2CC(CNC(=O)O)C2)nc(N)n1.
What is the InChIKey of [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid?
The InChIKey is BPOJSTFOLCUXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-15(2,3)4-5-17-11-6-12(20-13(16)19-11)21-8-10(9-21)7-18-14(22)23/h6,10,18H,4-5,7-9H2,1-3H3,(H,22,23)(H3,16,17,19,20).
What are the key properties of [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid?
[1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid has a molecular weight of 322.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid is sourced from PubChem (CID 67156427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).