N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide

C10H16N4O — CID 72718206

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C10H16N4O/c1-4-10(15)12-7-8-11-6-5-9(13-8)14(2)3/h5-6H,4,7H2,1-3H3,(H,12,15)
InChIKeyNNJXHGGNVUTEEB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.57
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide (PubChem CID 72718206) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
PubChem CID72718206
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C10H16N4O/c1-4-10(15)12-7-8-11-6-5-9(13-8)14(2)3/h5-6H,4,7H2,1-3H3,(H,12,15)
InChIKeyNNJXHGGNVUTEEB-UHFFFAOYSA-N
XLogP0.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide (CID 72718206) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide is CCC(=O)NCc1nccc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide?
The InChIKey is NNJXHGGNVUTEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-10(15)12-7-8-11-6-5-9(13-8)14(2)3/h5-6H,4,7H2,1-3H3,(H,12,15).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 72718206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).