3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide

C12H20N4O2 — CID 106097009

IUPAC3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide
SMILESCCCOc1ccnc(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C12H20N4O2/c1-4-7-18-10-5-6-14-11(15-10)16-12(2,3)8-9(13)17/h5-6H,4,7-8H2,1-3H3,(H2,13,17)(H,14,15,16)
InChIKeyQCJXVTPNBIQLNP-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.33
Rot. Bonds7

About 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide

3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide (PubChem CID 106097009) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide
PubChem CID106097009
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide
SMILESCCCOc1ccnc(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C12H20N4O2/c1-4-7-18-10-5-6-14-11(15-10)16-12(2,3)8-9(13)17/h5-6H,4,7-8H2,1-3H3,(H2,13,17)(H,14,15,16)
InChIKeyQCJXVTPNBIQLNP-UHFFFAOYSA-N
XLogP1.33
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112638834
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
CID 106095700
3-methyl-3-(quinazolin-2-ylamino)butanamide
CID 106097327
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide?
The IUPAC name of 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide (CID 106097009) is 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide?
The canonical SMILES for 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide is CCCOc1ccnc(NC(C)(C)CC(N)=O)n1.
What is the InChIKey of 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide?
The InChIKey is QCJXVTPNBIQLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-7-18-10-5-6-14-11(15-10)16-12(2,3)8-9(13)17/h5-6H,4,7-8H2,1-3H3,(H2,13,17)(H,14,15,16).
What are the key properties of 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide?
3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide has a molecular weight of 252.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 106097009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).