1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol

C17H28N4O — CID 135108204

IUPAC1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol
SMILESCc1nc(N2CCCC2)nc(NCCC2(O)CCCC2)c1C
InChIInChI=1S/C17H28N4O/c1-13-14(2)19-16(21-11-5-6-12-21)20-15(13)18-10-9-17(22)7-3-4-8-17/h22H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyYGAHURNGVFSYKB-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol

1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol (PubChem CID 135108204) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol
PubChem CID135108204
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol
SMILESCc1nc(N2CCCC2)nc(NCCC2(O)CCCC2)c1C
InChIInChI=1S/C17H28N4O/c1-13-14(2)19-16(21-11-5-6-12-21)20-15(13)18-10-9-17(22)7-3-4-8-17/h22H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyYGAHURNGVFSYKB-UHFFFAOYSA-N
XLogP2.80
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol (CID 135108204) is 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol is Cc1nc(N2CCCC2)nc(NCCC2(O)CCCC2)c1C.
What is the InChIKey of 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol?
The InChIKey is YGAHURNGVFSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-14(2)19-16(21-11-5-6-12-21)20-15(13)18-10-9-17(22)7-3-4-8-17/h22H,3-12H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol?
1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol has a molecular weight of 304.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 135108204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).