4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C15H22N4O2 — CID 91827801

IUPAC4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C15H22N4O2/c20-15(21)11-3-5-12(6-4-11)18-13-9-14(17-10-16-13)19-7-1-2-8-19/h9-12H,1-8H2,(H,20,21)(H,16,17,18)
InChIKeyBZYGNLOPWSGONG-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.13
Rot. Bonds4

About 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 91827801) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID91827801
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C15H22N4O2/c20-15(21)11-3-5-12(6-4-11)18-13-9-14(17-10-16-13)19-7-1-2-8-19/h9-12H,1-8H2,(H,20,21)(H,16,17,18)
InChIKeyBZYGNLOPWSGONG-UHFFFAOYSA-N
XLogP2.13
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 91827801) is 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BZYGNLOPWSGONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(21)11-3-5-12(6-4-11)18-13-9-14(17-10-16-13)19-7-1-2-8-19/h9-12H,1-8H2,(H,20,21)(H,16,17,18).
What are the key properties of 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91827801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).