(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane

C17H24N6O2S — CID 157246122

IUPAC(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane
SMILESCCC[C@@H](CO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.S
InChIInChI=1S/C17H22N6O2.H2S/c1-2-5-12(10-24)21-16-14(8-19-17(18)22-16)25-11-13-9-23-7-4-3-6-15(23)20-13;/h3-4,6-9,12,24H,2,5,10-11H2,1H3,(H3,18,19,21,22);1H2/t12-;/m0./s1
InChIKeyAVUCUXDPYMVOJG-YDALLXLXSA-N
MW376.49 g/mol
LogP1.97
Rot. Bonds8

About (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane

(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane (PubChem CID 157246122) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane.

Molecular Properties

Compound Name(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane
PubChem CID157246122
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane
SMILESCCC[C@@H](CO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.S
InChIInChI=1S/C17H22N6O2.H2S/c1-2-5-12(10-24)21-16-14(8-19-17(18)22-16)25-11-13-9-23-7-4-3-6-15(23)20-13;/h3-4,6-9,12,24H,2,5,10-11H2,1H3,(H3,18,19,21,22);1H2/t12-;/m0./s1
InChIKeyAVUCUXDPYMVOJG-YDALLXLXSA-N
XLogP1.97
TPSA110.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane?
The IUPAC name of (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane (CID 157246122) is (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane.
What is the SMILES notation for (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane?
The canonical SMILES for (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane is CCC[C@@H](CO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.S.
What is the InChIKey of (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane?
The InChIKey is AVUCUXDPYMVOJG-YDALLXLXSA-N. The full InChI is InChI=1S/C17H22N6O2.H2S/c1-2-5-12(10-24)21-16-14(8-19-17(18)22-16)25-11-13-9-23-7-4-3-6-15(23)20-13;/h3-4,6-9,12,24H,2,5,10-11H2,1H3,(H3,18,19,21,22);1H2/t12-;/m0./s1.
What are the key properties of (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane?
(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane has a molecular weight of 376.49 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane is sourced from PubChem (CID 157246122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).