(2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]

C16H19N5 — CID 175881189

IUPAC(2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]
SMILES[2H]N1CC[C@@]2(CCc3cc(-c4ncccn4)c(C)nc3N2)C1
InChIInChI=1S/C16H19N5/c1-11-13(15-18-6-2-7-19-15)9-12-3-4-16(5-8-17-10-16)21-14(12)20-11/h2,6-7,9,17H,3-5,8,10H2,1H3,(H,20,21)/t16-/m0/s1/i/hD
InChIKeyQMWKTMDXYDZOMA-OXNKVLSNSA-N
MW282.37 g/mol
LogP1.94
Rot. Bonds1

About (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]

(2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine] (PubChem CID 175881189) has the molecular formula C16H19N5 and a molecular weight of 282.37 g/mol. Its IUPAC name is (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine].

Molecular Properties

Compound Name(2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]
PubChem CID175881189
Molecular FormulaC16H19N5
Molecular Weight282.37 g/mol
Exact Mass282.17
IUPAC Name(2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]
SMILES[2H]N1CC[C@@]2(CCc3cc(-c4ncccn4)c(C)nc3N2)C1
InChIInChI=1S/C16H19N5/c1-11-13(15-18-6-2-7-19-15)9-12-3-4-16(5-8-17-10-16)21-14(12)20-11/h2,6-7,9,17H,3-5,8,10H2,1H3,(H,20,21)/t16-/m0/s1/i/hD
InChIKeyQMWKTMDXYDZOMA-OXNKVLSNSA-N
XLogP1.94
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-(4,6-dideuteriopyrimidin-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]
CID 166585396
(2R)-7-methyl-6-(2-methyltetrazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]
CID 166585557
(2R)-2-(4-hydroxyphenyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166884232
2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 171632812
2-fluoro-2-(2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166884218
(2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585450
(2S)-2-fluoro-2-(2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585603
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-6-(5-fluoropyrimidin-2-yl)-7-methylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585375
2-methyl-4,6-di(pyrimidin-2-yl)pyrimidine
CID 118243269
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(1,3-thiazol-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585411
6-(2-methyl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 90168149
[(7S)-2-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[6,8-dihydro-5H-1,8-naphthyridine-7,3'-pyrrolidine]-3-yl]boronic acid
CID 166585401

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]?
The IUPAC name of (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine] (CID 175881189) is (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine].
What is the SMILES notation for (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]?
The canonical SMILES for (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine] is [2H]N1CC[C@@]2(CCc3cc(-c4ncccn4)c(C)nc3N2)C1.
What is the InChIKey of (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]?
The InChIKey is QMWKTMDXYDZOMA-OXNKVLSNSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-13(15-18-6-2-7-19-15)9-12-3-4-16(5-8-17-10-16)21-14(12)20-11/h2,6-7,9,17H,3-5,8,10H2,1H3,(H,20,21)/t16-/m0/s1/i/hD.
What are the key properties of (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]?
(2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine] has a molecular weight of 282.37 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine] is sourced from PubChem (CID 175881189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).