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

C9H14ClN5O — CID 106275058

IUPAC3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ncnc(Cl)c1N)C(N)=O
InChIInChI=1S/C9H14ClN5O/c1-9(2,8(12)16)3-13-7-5(11)6(10)14-4-15-7/h4H,3,11H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyJIDNYBVLRLOXLB-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.64
Rot. Bonds4

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

3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106275058) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID106275058
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ncnc(Cl)c1N)C(N)=O
InChIInChI=1S/C9H14ClN5O/c1-9(2,8(12)16)3-13-7-5(11)6(10)14-4-15-7/h4H,3,11H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyJIDNYBVLRLOXLB-UHFFFAOYSA-N
XLogP0.64
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167772
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-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide
CID 106279549
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149
4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
CID 23477594

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 106275058) is 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1ncnc(Cl)c1N)C(N)=O.
What is the InChIKey of 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is JIDNYBVLRLOXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-9(2,8(12)16)3-13-7-5(11)6(10)14-4-15-7/h4H,3,11H2,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 243.70 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106275058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).