(2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide

C13H22N4O — CID 95126128

IUPAC(2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide
SMILESCCCc1cc(N[C@@H](C)C(=O)N(C)C)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-6-7-11-8-12(16-10(3)15-11)14-9(2)13(18)17(4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16)/t9-/m0/s1
InChIKeyBFXLJVWOLPZMFT-VIFPVBQESA-N
MW250.35 g/mol
LogP1.63
Rot. Bonds5

About (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide

(2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide (PubChem CID 95126128) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide
PubChem CID95126128
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide
SMILESCCCc1cc(N[C@@H](C)C(=O)N(C)C)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-6-7-11-8-12(16-10(3)15-11)14-9(2)13(18)17(4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16)/t9-/m0/s1
InChIKeyBFXLJVWOLPZMFT-VIFPVBQESA-N
XLogP1.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide (CID 95126128) is (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide is CCCc1cc(N[C@@H](C)C(=O)N(C)C)nc(C)n1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide?
The InChIKey is BFXLJVWOLPZMFT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N4O/c1-6-7-11-8-12(16-10(3)15-11)14-9(2)13(18)17(4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide?
(2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 95126128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).