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

C16H20N4O2 — CID 99882923

IUPAC(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C16H20N4O2/c1-12(22-13-7-5-4-6-8-13)16(21)18-11-14-17-10-9-15(19-14)20(2)3/h4-10,12H,11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeySJMMLDHZHJPTHU-LBPRGKRZSA-N
MW300.36 g/mol
LogP1.63
Rot. Bonds6

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

(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide (PubChem CID 99882923) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide
PubChem CID99882923
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C16H20N4O2/c1-12(22-13-7-5-4-6-8-13)16(21)18-11-14-17-10-9-15(19-14)20(2)3/h4-10,12H,11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeySJMMLDHZHJPTHU-LBPRGKRZSA-N
XLogP1.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
N-ethyl-2-phenoxypropanamide
CID 4282518
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide (CID 99882923) is (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)NCc1nccc(N(C)C)n1.
What is the InChIKey of (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide?
The InChIKey is SJMMLDHZHJPTHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(22-13-7-5-4-6-8-13)16(21)18-11-14-17-10-9-15(19-14)20(2)3/h4-10,12H,11H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide?
(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide has a molecular weight of 300.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 99882923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).