3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C12H21N5O — CID 114167772

IUPAC3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCCCc1c(N)ncnc1NCC(C)(C)C(N)=O
InChIInChI=1S/C12H21N5O/c1-4-5-8-9(13)16-7-17-10(8)15-6-12(2,3)11(14)18/h7H,4-6H2,1-3H3,(H2,14,18)(H3,13,15,16,17)
InChIKeyZEVJEDOVBNXVFH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.93
Rot. Bonds6

About 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 114167772) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID114167772
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCCCc1c(N)ncnc1NCC(C)(C)C(N)=O
InChIInChI=1S/C12H21N5O/c1-4-5-8-9(13)16-7-17-10(8)15-6-12(2,3)11(14)18/h7H,4-6H2,1-3H3,(H2,14,18)(H3,13,15,16,17)
InChIKeyZEVJEDOVBNXVFH-UHFFFAOYSA-N
XLogP0.93
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150169
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide
CID 112738372

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 114167772) is 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide is CCCc1c(N)ncnc1NCC(C)(C)C(N)=O.
What is the InChIKey of 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is ZEVJEDOVBNXVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-5-8-9(13)16-7-17-10(8)15-6-12(2,3)11(14)18/h7H,4-6H2,1-3H3,(H2,14,18)(H3,13,15,16,17).
What are the key properties of 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 114167772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).