2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide

C14H22N4O2 — CID 46980090

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCc1cc(C)nc(NC(C)C(=O)NCC2(C)COC2)n1
InChIInChI=1S/C14H22N4O2/c1-9-5-10(2)17-13(16-9)18-11(3)12(19)15-6-14(4)7-20-8-14/h5,11H,6-8H2,1-4H3,(H,15,19)(H,16,17,18)
InChIKeyIAIOBBZMDXSPSU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.05
Rot. Bonds5

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide (PubChem CID 46980090) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide
PubChem CID46980090
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCc1cc(C)nc(NC(C)C(=O)NCC2(C)COC2)n1
InChIInChI=1S/C14H22N4O2/c1-9-5-10(2)17-13(16-9)18-11(3)12(19)15-6-14(4)7-20-8-14/h5,11H,6-8H2,1-4H3,(H,15,19)(H,16,17,18)
InChIKeyIAIOBBZMDXSPSU-UHFFFAOYSA-N
XLogP1.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide (CID 46980090) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide is Cc1cc(C)nc(NC(C)C(=O)NCC2(C)COC2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The InChIKey is IAIOBBZMDXSPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-5-10(2)17-13(16-9)18-11(3)12(19)15-6-14(4)7-20-8-14/h5,11H,6-8H2,1-4H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methyloxetan-3-yl)methyl]propanamide is sourced from PubChem (CID 46980090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).