cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol

C19H25N5O — CID 97185427

IUPACcis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
SMILESCc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H25N5O/c1-14-12-18(22-19(21-14)15-4-3-7-20-13-15)24-10-8-23(9-11-24)16-5-2-6-17(16)25/h3-4,7,12-13,16-17,25H,2,5-6,8-11H2,1H3/t16-,17+/m0/s1
InChIKeyAYQZEICARGRGKS-DLBZAZTESA-N
MW339.44 g/mol
LogP1.88
Rot. Bonds3

About cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol

cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol (PubChem CID 97185427) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
PubChem CID97185427
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Namecis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
SMILESCc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H25N5O/c1-14-12-18(22-19(21-14)15-4-3-7-20-13-15)24-10-8-23(9-11-24)16-5-2-6-17(16)25/h3-4,7,12-13,16-17,25H,2,5-6,8-11H2,1H3/t16-,17+/m0/s1
InChIKeyAYQZEICARGRGKS-DLBZAZTESA-N
XLogP1.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol (CID 97185427) is cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol is Cc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol?
The InChIKey is AYQZEICARGRGKS-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-12-18(22-19(21-14)15-4-3-7-20-13-15)24-10-8-23(9-11-24)16-5-2-6-17(16)25/h3-4,7,12-13,16-17,25H,2,5-6,8-11H2,1H3/t16-,17+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol?
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 97185427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).