(2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol

C19H26N4O4 — CID 134568988

IUPAC(2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol
SMILESC=Cc1ncc(OCc2nccc(OC)c2OC)c(N[C@H](CO)CCC)n1
InChIInChI=1S/C19H26N4O4/c1-5-7-13(11-24)22-19-16(10-21-17(6-2)23-19)27-12-14-18(26-4)15(25-3)8-9-20-14/h6,8-10,13,24H,2,5,7,11-12H2,1,3-4H3,(H,21,22,23)/t13-/m0/s1
InChIKeyNUYDQMQXAMLOHA-ZDUSSCGKSA-N
MW374.44 g/mol
LogP2.68
Rot. Bonds11

About (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol

(2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 134568988) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol
PubChem CID134568988
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol
SMILESC=Cc1ncc(OCc2nccc(OC)c2OC)c(N[C@H](CO)CCC)n1
InChIInChI=1S/C19H26N4O4/c1-5-7-13(11-24)22-19-16(10-21-17(6-2)23-19)27-12-14-18(26-4)15(25-3)8-9-20-14/h6,8-10,13,24H,2,5,7,11-12H2,1,3-4H3,(H,21,22,23)/t13-/m0/s1
InChIKeyNUYDQMQXAMLOHA-ZDUSSCGKSA-N
XLogP2.68
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[[2-amino-5-[(3,4-dimethoxy-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]-3-sulfanylhexan-1-ol
CID 146828441
(2S)-2-[[2-amino-5-[(3-methoxy-2,4-dimethylphenyl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 160692279
(3S)-3-[[2-ethenyl-5-(isoquinolin-3-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 134569189
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 155429580
2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol
CID 134569147
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 103173312
N-[(Z,4Z)-4-(1-aminoethenylimino)-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]but-2-en-2-yl]pentan-2-amine
CID 134569296
2-[[2-amino-4-(1-hydroxyhexan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3-methoxy-1H-pyridin-4-one
CID 123748391
2-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 135229115
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol (CID 134568988) is (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol is C=Cc1ncc(OCc2nccc(OC)c2OC)c(N[C@H](CO)CCC)n1.
What is the InChIKey of (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is NUYDQMQXAMLOHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-5-7-13(11-24)22-19-16(10-21-17(6-2)23-19)27-12-14-18(26-4)15(25-3)8-9-20-14/h6,8-10,13,24H,2,5,7,11-12H2,1,3-4H3,(H,21,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol?
(2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 374.44 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-ethenylpyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 134568988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).