N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide

C12H20N4O — CID 72718210

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C12H20N4O/c1-9(2)7-12(17)14-8-10-13-6-5-11(15-10)16(3)4/h5-6,9H,7-8H2,1-4H3,(H,14,17)
InChIKeyMLWHGTUQMOLQBI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.20
Rot. Bonds5

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide (PubChem CID 72718210) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide
PubChem CID72718210
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C12H20N4O/c1-9(2)7-12(17)14-8-10-13-6-5-11(15-10)16(3)4/h5-6,9H,7-8H2,1-4H3,(H,14,17)
InChIKeyMLWHGTUQMOLQBI-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.20
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]-3-methylbutanamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide (CID 72718210) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide is CC(C)CC(=O)NCc1nccc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide?
The InChIKey is MLWHGTUQMOLQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)7-12(17)14-8-10-13-6-5-11(15-10)16(3)4/h5-6,9H,7-8H2,1-4H3,(H,14,17).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-methylbutanamide has a molecular weight of 236.32 g/mol, XLogP of 1.20, 5 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]-3-methylbutanamide is sourced from PubChem (CID 72718210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).