2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol

C18H22N4O — CID 136934519

IUPAC2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol
SMILESNC1CCN(c2cnc(-c3ccccc3O)nc2C2CC2)CC1
InChIInChI=1S/C18H22N4O/c19-13-7-9-22(10-8-13)15-11-20-18(21-17(15)12-5-6-12)14-3-1-2-4-16(14)23/h1-4,11-13,23H,5-10,19H2
InChIKeySANYLQBBBQVUHF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.65
Rot. Bonds3

About 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol

2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol (PubChem CID 136934519) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol
PubChem CID136934519
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol
SMILESNC1CCN(c2cnc(-c3ccccc3O)nc2C2CC2)CC1
InChIInChI=1S/C18H22N4O/c19-13-7-9-22(10-8-13)15-11-20-18(21-17(15)12-5-6-12)14-3-1-2-4-16(14)23/h1-4,11-13,23H,5-10,19H2
InChIKeySANYLQBBBQVUHF-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
CID 136934525
2-[5-(4-aminopiperidin-1-yl)-4-methylpyrimidin-2-yl]phenol
CID 136934608
2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol
CID 136934488
4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211492
1-(2-cyclohexyl-4-cyclopropylpyrimidin-5-yl)piperidin-4-amine
CID 117211421
1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine
CID 117212035
3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol
CID 117211668
1-(4-cyclopentyl-2-propan-2-ylpyrimidin-5-yl)piperidin-4-amine
CID 117211579
1-(4-cyclopentyl-2-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117211578
2-[4-(4-aminopiperidin-1-yl)-5-cyclopropylpyrazol-1-yl]phenol
CID 117210810
1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine
CID 117211511
1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine
CID 117212294

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol (CID 136934519) is 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol is NC1CCN(c2cnc(-c3ccccc3O)nc2C2CC2)CC1.
What is the InChIKey of 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol?
The InChIKey is SANYLQBBBQVUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-13-7-9-22(10-8-13)15-11-20-18(21-17(15)12-5-6-12)14-3-1-2-4-16(14)23/h1-4,11-13,23H,5-10,19H2.
What are the key properties of 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol?
2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol has a molecular weight of 310.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol is sourced from PubChem (CID 136934519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).