methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate

C14H26N2O2 — CID 10610984

IUPACmethyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
SMILESCCCN1C=C(C(=O)OC)[C@H](C)N(CCC)[C@H]1C
InChIInChI=1S/C14H26N2O2/c1-6-8-15-10-13(14(17)18-5)11(3)16(9-7-2)12(15)4/h10-12H,6-9H2,1-5H3/t11-,12-/m0/s1
InChIKeyMYIXKZFDHDIHOI-RYUDHWBXSA-N
MW254.37 g/mol
LogP2.22
Rot. Bonds5

About methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate

methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate (PubChem CID 10610984) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
PubChem CID10610984
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
SMILESCCCN1C=C(C(=O)OC)[C@H](C)N(CCC)[C@H]1C
InChIInChI=1S/C14H26N2O2/c1-6-8-15-10-13(14(17)18-5)11(3)16(9-7-2)12(15)4/h10-12H,6-9H2,1-5H3/t11-,12-/m0/s1
InChIKeyMYIXKZFDHDIHOI-RYUDHWBXSA-N
XLogP2.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate (CID 10610984) is methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate is CCCN1C=C(C(=O)OC)[C@H](C)N(CCC)[C@H]1C.
What is the InChIKey of methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate?
The InChIKey is MYIXKZFDHDIHOI-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-8-15-10-13(14(17)18-5)11(3)16(9-7-2)12(15)4/h10-12H,6-9H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate?
methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2,4-dimethyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 10610984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).