3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide

C12H21N5O — CID 113224877

IUPAC3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1cc(C)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)11(18)6-7-14-10-8-9(3)15-12(13)16-10/h8H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyBSHQVZCEEVMDIH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds6

About 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide

3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide (PubChem CID 113224877) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide
PubChem CID113224877
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1cc(C)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)11(18)6-7-14-10-8-9(3)15-12(13)16-10/h8H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyBSHQVZCEEVMDIH-UHFFFAOYSA-N
XLogP1.04
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137015428
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide
CID 106549555
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one
CID 58679014
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
CID 114235096
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 81051927
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide (CID 113224877) is 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1cc(C)nc(N)n1.
What is the InChIKey of 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The InChIKey is BSHQVZCEEVMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17(5-2)11(18)6-7-14-10-8-9(3)15-12(13)16-10/h8H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide?
3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113224877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).