2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide

C11H19N5O — CID 64829483

IUPAC2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ccnc(N(C)C)n1)C(=O)N(C)C
InChIInChI=1S/C11H19N5O/c1-8(10(17)15(2)3)13-9-6-7-12-11(14-9)16(4)5/h6-8H,1-5H3,(H,12,13,14)
InChIKeyYLNSHWWGSDNYGI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.43
Rot. Bonds4

About 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide

2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 64829483) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID64829483
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ccnc(N(C)C)n1)C(=O)N(C)C
InChIInChI=1S/C11H19N5O/c1-8(10(17)15(2)3)13-9-6-7-12-11(14-9)16(4)5/h6-8H,1-5H3,(H,12,13,14)
InChIKeyYLNSHWWGSDNYGI-UHFFFAOYSA-N
XLogP0.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (CID 64829483) is 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is CC(Nc1ccnc(N(C)C)n1)C(=O)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is YLNSHWWGSDNYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(10(17)15(2)3)13-9-6-7-12-11(14-9)16(4)5/h6-8H,1-5H3,(H,12,13,14).
What are the key properties of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 237.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 64829483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).