3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide

C12H21N5O — CID 80983114

IUPAC3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H21N5O/c1-7(2)11-16-10(13)8(3)12(17-11)15-6-5-9(18)14-4/h7H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16,17)
InChIKeyRVIFBKAKZGUGGT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds5

About 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide

3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 80983114) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID80983114
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H21N5O/c1-7(2)11-16-10(13)8(3)12(17-11)15-6-5-9(18)14-4/h7H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16,17)
InChIKeyRVIFBKAKZGUGGT-UHFFFAOYSA-N
XLogP1.04
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343135
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80987605
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 81006974
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide
CID 114998598
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide (CID 80983114) is 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is RVIFBKAKZGUGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7(2)11-16-10(13)8(3)12(17-11)15-6-5-9(18)14-4/h7H,5-6H2,1-4H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide?
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80983114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).