2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol

C17H21ClN4O2 — CID 57008435

IUPAC2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESNc1ncc(Oc2ccc(Cl)cc2)c(N[C@@H]2CCC[C@H]2CCO)n1
InChIInChI=1S/C17H21ClN4O2/c18-12-4-6-13(7-5-12)24-15-10-20-17(19)22-16(15)21-14-3-1-2-11(14)8-9-23/h4-7,10-11,14,23H,1-3,8-9H2,(H3,19,20,21,22)/t11-,14+/m0/s1
InChIKeyYLTHCBGIXGRYNM-SMDDNHRTSA-N
MW348.83 g/mol
LogP3.47
Rot. Bonds6

About 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol

2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol (PubChem CID 57008435) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol
PubChem CID57008435
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESNc1ncc(Oc2ccc(Cl)cc2)c(N[C@@H]2CCC[C@H]2CCO)n1
InChIInChI=1S/C17H21ClN4O2/c18-12-4-6-13(7-5-12)24-15-10-20-17(19)22-16(15)21-14-3-1-2-11(14)8-9-23/h4-7,10-11,14,23H,1-3,8-9H2,(H3,19,20,21,22)/t11-,14+/m0/s1
InChIKeyYLTHCBGIXGRYNM-SMDDNHRTSA-N
XLogP3.47
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol with MolForge

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Related Compounds

BW 48-122
CID 72999
2-[[4-Amino-5-(4-chloro-5-iodo-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,3-diol
CID 25003002
4-N-[2-[(3-chlorophenoxy)methyl]pyrimidin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 44400922
2-[4-[2-Amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 9799374
4-[[2-Amino-5-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 9819913
4-[[2-Amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 9928472
4-[[2-Amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 22380362
1-[[2-Amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 22380383
4-[[5-[4-(Trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 22380390
4-[[2-Amino-5-(2,3-difluorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 22380402
4-[[2-Amino-5-(2,4-difluorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 22380404
4-[[5-(4-Chloro-2-fluorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 22380426

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The IUPAC name of 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol (CID 57008435) is 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol is Nc1ncc(Oc2ccc(Cl)cc2)c(N[C@@H]2CCC[C@H]2CCO)n1.
What is the InChIKey of 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The InChIKey is YLTHCBGIXGRYNM-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-12-4-6-13(7-5-12)24-15-10-20-17(19)22-16(15)21-14-3-1-2-11(14)8-9-23/h4-7,10-11,14,23H,1-3,8-9H2,(H3,19,20,21,22)/t11-,14+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol?
2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol has a molecular weight of 348.83 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol is sourced from PubChem (CID 57008435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).