trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C19H25N5O — CID 167878720

IUPACtrans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1cc(C2CC2)nc(C2CC2)n1
InChIInChI=1S/C19H25N5O/c25-17-9-12(11-24-7-1-6-20-24)8-16(17)21-18-10-15(13-2-3-13)22-19(23-18)14-4-5-14/h1,6-7,10,12-14,16-17,25H,2-5,8-9,11H2,(H,21,22,23)/t12?,16-,17-/m1/s1
InChIKeyUQYZNKBGTLVZID-RIJFORKLSA-N
MW339.44 g/mol
LogP2.68
Rot. Bonds6

About trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 167878720) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID167878720
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Nametrans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1cc(C2CC2)nc(C2CC2)n1
InChIInChI=1S/C19H25N5O/c25-17-9-12(11-24-7-1-6-20-24)8-16(17)21-18-10-15(13-2-3-13)22-19(23-18)14-4-5-14/h1,6-7,10,12-14,16-17,25H,2-5,8-9,11H2,(H,21,22,23)/t12?,16-,17-/m1/s1
InChIKeyUQYZNKBGTLVZID-RIJFORKLSA-N
XLogP2.68
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 167878720) is trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2cccn2)C[C@H]1Nc1cc(C2CC2)nc(C2CC2)n1.
What is the InChIKey of trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is UQYZNKBGTLVZID-RIJFORKLSA-N. The full InChI is InChI=1S/C19H25N5O/c25-17-9-12(11-24-7-1-6-20-24)8-16(17)21-18-10-15(13-2-3-13)22-19(23-18)14-4-5-14/h1,6-7,10,12-14,16-17,25H,2-5,8-9,11H2,(H,21,22,23)/t12?,16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 167878720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).