N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide

C15H25N3O2 — CID 47416539

IUPACN-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-20-7-6-13(19)18-12-8-16-14(17-9-12)15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyRZCVLEXKVFFDOB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.78
Rot. Bonds6

About N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide

N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide (PubChem CID 47416539) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide
PubChem CID47416539
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-20-7-6-13(19)18-12-8-16-14(17-9-12)15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyRZCVLEXKVFFDOB-UHFFFAOYSA-N
XLogP2.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
CID 120561407
N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide
CID 47416531
methyl 4-[3-(2-methylpropoxy)propanoylamino]benzoate
CID 38953143
N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
CID 139895476
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide
CID 46451811
1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424877
N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
CID 95300949
1-(2-tert-butylpyrimidin-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431544
3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78873454
3-(2-methylpropoxy)-N-(3-nitrophenyl)propanamide
CID 38966621
1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 75373143

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide (CID 47416539) is N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide?
The InChIKey is RZCVLEXKVFFDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)10-20-7-6-13(19)18-12-8-16-14(17-9-12)15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,18,19).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide?
N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 47416539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).