4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol

C15H20N4O — CID 136934593

IUPAC4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol
SMILESCC(C)c1nc(-c2ccc(O)cc2)ncc1NCCN
InChIInChI=1S/C15H20N4O/c1-10(2)14-13(17-8-7-16)9-18-15(19-14)11-3-5-12(20)6-4-11/h3-6,9-10,17,20H,7-8,16H2,1-2H3
InChIKeyXANADPDDLRLRQN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.34
Rot. Bonds5

About 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol

4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol (PubChem CID 136934593) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol
PubChem CID136934593
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol
SMILESCC(C)c1nc(-c2ccc(O)cc2)ncc1NCCN
InChIInChI=1S/C15H20N4O/c1-10(2)14-13(17-8-7-16)9-18-15(19-14)11-3-5-12(20)6-4-11/h3-6,9-10,17,20H,7-8,16H2,1-2H3
InChIKeyXANADPDDLRLRQN-UHFFFAOYSA-N
XLogP2.34
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol (CID 136934593) is 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol is CC(C)c1nc(-c2ccc(O)cc2)ncc1NCCN.
What is the InChIKey of 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol?
The InChIKey is XANADPDDLRLRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)14-13(17-8-7-16)9-18-15(19-14)11-3-5-12(20)6-4-11/h3-6,9-10,17,20H,7-8,16H2,1-2H3.
What are the key properties of 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol?
4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol is sourced from PubChem (CID 136934593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).