N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide

C10H16N4O — CID 106278325

IUPACN,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNc1ccncn1
InChIInChI=1S/C10H16N4O/c1-10(2,9(15)11-3)6-13-8-4-5-12-7-14-8/h4-5,7H,6H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKeySXBUNTWZFKNYJU-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.66
Rot. Bonds4

About N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide

N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide (PubChem CID 106278325) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
PubChem CID106278325
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNc1ccncn1
InChIInChI=1S/C10H16N4O/c1-10(2,9(15)11-3)6-13-8-4-5-12-7-14-8/h4-5,7H,6H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKeySXBUNTWZFKNYJU-UHFFFAOYSA-N
XLogP0.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-tert-butyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106278300
2-methyl-2-(methylamino)-N-pyrimidin-4-ylpropanamide
CID 83618049
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251
2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
CID 83617917
2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
CID 106171831
N-methylpyrimidin-4-amine;propanedioic acid
CID 70381240
3-[(5,6-diamino-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275362
2-[(pyrimidin-4-ylamino)methyl]butanoic acid
CID 65226291
3-[(6-hydrazinylpyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106280881
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
CID 106278316
ethane;N-ethylpyrimidin-4-amine
CID 167491074

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide (CID 106278325) is N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide is CNC(=O)C(C)(C)CNc1ccncn1.
What is the InChIKey of N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide?
The InChIKey is SXBUNTWZFKNYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2,9(15)11-3)6-13-8-4-5-12-7-14-8/h4-5,7H,6H2,1-3H3,(H,11,15)(H,12,13,14).
What are the key properties of N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide?
N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide is sourced from PubChem (CID 106278325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).