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

C15H26N6O2 — CID 67156429

IUPAC[1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)5-6-17-11-7-12(19-13(16)18-11)21-8-10(9-21)20(4)14(22)23/h7,10H,5-6,8-9H2,1-4H3,(H,22,23)(H3,16,17,18,19)
InChIKeyFGMYWIZDTUNSJE-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.71
Rot. Bonds5

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 67156429) 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 CID67156429
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
SMILESCN(C(=O)O)C1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)5-6-17-11-7-12(19-13(16)18-11)21-8-10(9-21)20(4)14(22)23/h7,10H,5-6,8-9H2,1-4H3,(H,22,23)(H3,16,17,18,19)
InChIKeyFGMYWIZDTUNSJE-UHFFFAOYSA-N
XLogP1.71
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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 67156429) 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 CN(C(=O)O)C1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1.
What is the InChIKey of [1-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]azetidin-3-yl]-methylcarbamic acid?
The InChIKey is FGMYWIZDTUNSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-15(2,3)5-6-17-11-7-12(19-13(16)18-11)21-8-10(9-21)20(4)14(22)23/h7,10H,5-6,8-9H2,1-4H3,(H,22,23)(H3,16,17,18,19).
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 1.71, 5 rotatable bonds, 3 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 67156429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).