3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide

C12H21N5O — CID 113411160

IUPAC3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
SMILESCNc1nc(C)cc(NCCC(=O)NC(C)C)n1
InChIInChI=1S/C12H21N5O/c1-8(2)15-11(18)5-6-14-10-7-9(3)16-12(13-4)17-10/h7-8H,5-6H2,1-4H3,(H,15,18)(H2,13,14,16,17)
InChIKeyCUIRWQFKHAXGLC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds6

About 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide

3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide (PubChem CID 113411160) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
PubChem CID113411160
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
SMILESCNc1nc(C)cc(NCCC(=O)NC(C)C)n1
InChIInChI=1S/C12H21N5O/c1-8(2)15-11(18)5-6-14-10-7-9(3)16-12(13-4)17-10/h7-8H,5-6H2,1-4H3,(H,15,18)(H2,13,14,16,17)
InChIKeyCUIRWQFKHAXGLC-UHFFFAOYSA-N
XLogP1.15
TPSA78.94 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 ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147401
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
2,2-dimethyl-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 106280469
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113340036
N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332206
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide (CID 113411160) is 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide is CNc1nc(C)cc(NCCC(=O)NC(C)C)n1.
What is the InChIKey of 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide?
The InChIKey is CUIRWQFKHAXGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)15-11(18)5-6-14-10-7-9(3)16-12(13-4)17-10/h7-8H,5-6H2,1-4H3,(H,15,18)(H2,13,14,16,17).
What are the key properties of 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide?
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113411160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).