2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol

C12H14N4O — CID 136934611

IUPAC2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
SMILESNCCNc1cnc(-c2ccccc2O)nc1
InChIInChI=1S/C12H14N4O/c13-5-6-14-9-7-15-12(16-8-9)10-3-1-2-4-11(10)17/h1-4,7-8,14,17H,5-6,13H2
InChIKeySBQSQUNULIOGCM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.22
Rot. Bonds4

About 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol

2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol (PubChem CID 136934611) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
PubChem CID136934611
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
SMILESNCCNc1cnc(-c2ccccc2O)nc1
InChIInChI=1S/C12H14N4O/c13-5-6-14-9-7-15-12(16-8-9)10-3-1-2-4-11(10)17/h1-4,7-8,14,17H,5-6,13H2
InChIKeySBQSQUNULIOGCM-UHFFFAOYSA-N
XLogP1.22
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212334
2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 135874559
N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212394
N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212348
2-[5-(2-aminoethylamino)pyrimidin-4-yl]phenol
CID 136934491
N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212350
N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine
CID 84649652
2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 136934476
2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
CID 136934549
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
2-pyrimidin-2-ylphenol;zinc
CID 161346901
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212373

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol (CID 136934611) is 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol is NCCNc1cnc(-c2ccccc2O)nc1.
What is the InChIKey of 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol?
The InChIKey is SBQSQUNULIOGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-5-6-14-9-7-15-12(16-8-9)10-3-1-2-4-11(10)17/h1-4,7-8,14,17H,5-6,13H2.
What are the key properties of 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol?
2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol has a molecular weight of 230.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 136934611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).