(2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide

C12H19N5O3 — CID 164631258

IUPAC(2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide
SMILESCOc1cc(N2CCO[C@H](C(=O)N(C)C)C2)nc(N)n1
InChIInChI=1S/C12H19N5O3/c1-16(2)11(18)8-7-17(4-5-20-8)9-6-10(19-3)15-12(13)14-9/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15)/t8-/m0/s1
InChIKeyLWEYKQRRWYFXSC-QMMMGPOBSA-N
MW281.32 g/mol
LogP-0.64
Rot. Bonds3

About (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide

(2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide (PubChem CID 164631258) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide
PubChem CID164631258
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide
SMILESCOc1cc(N2CCO[C@H](C(=O)N(C)C)C2)nc(N)n1
InChIInChI=1S/C12H19N5O3/c1-16(2)11(18)8-7-17(4-5-20-8)9-6-10(19-3)15-12(13)14-9/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15)/t8-/m0/s1
InChIKeyLWEYKQRRWYFXSC-QMMMGPOBSA-N
XLogP-0.64
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide (CID 164631258) is (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide is COc1cc(N2CCO[C@H](C(=O)N(C)C)C2)nc(N)n1.
What is the InChIKey of (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide?
The InChIKey is LWEYKQRRWYFXSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-16(2)11(18)8-7-17(4-5-20-8)9-6-10(19-3)15-12(13)14-9/h6,8H,4-5,7H2,1-3H3,(H2,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide?
(2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 164631258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).