N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide

C12H20N4O — CID 133297213

IUPACN,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide
SMILESCC(C)c1nccc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O/c1-9(2)12-14-7-5-10(15-12)13-8-6-11(17)16(3)4/h5,7,9H,6,8H2,1-4H3,(H,13,14,15)
InChIKeySFWAYNDNDRHFEN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.49
Rot. Bonds5

About N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide

N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide (PubChem CID 133297213) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide
PubChem CID133297213
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide
SMILESCC(C)c1nccc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O/c1-9(2)12-14-7-5-10(15-12)13-8-6-11(17)16(3)4/h5,7,9H,6,8H2,1-4H3,(H,13,14,15)
InChIKeySFWAYNDNDRHFEN-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide (CID 133297213) is N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide is CC(C)c1nccc(NCCC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide?
The InChIKey is SFWAYNDNDRHFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)12-14-7-5-10(15-12)13-8-6-11(17)16(3)4/h5,7,9H,6,8H2,1-4H3,(H,13,14,15).
What are the key properties of N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide?
N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 133297213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).