3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide

C15H24N4O2 — CID 71704957

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide
SMILESCc1cc(C)nc(NCCC(=O)NCC2CCOCC2)n1
InChIInChI=1S/C15H24N4O2/c1-11-9-12(2)19-15(18-11)16-6-3-14(20)17-10-13-4-7-21-8-5-13/h9,13H,3-8,10H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyGLTCKBNGPFZYRQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.44
Rot. Bonds6

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

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide (PubChem CID 71704957) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide
PubChem CID71704957
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide
SMILESCc1cc(C)nc(NCCC(=O)NCC2CCOCC2)n1
InChIInChI=1S/C15H24N4O2/c1-11-9-12(2)19-15(18-11)16-6-3-14(20)17-10-13-4-7-21-8-5-13/h9,13H,3-8,10H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyGLTCKBNGPFZYRQ-UHFFFAOYSA-N
XLogP1.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide (CID 71704957) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide is Cc1cc(C)nc(NCCC(=O)NCC2CCOCC2)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is GLTCKBNGPFZYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-9-12(2)19-15(18-11)16-6-3-14(20)17-10-13-4-7-21-8-5-13/h9,13H,3-8,10H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 71704957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).