2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol

C14H18N4O — CID 136934549

IUPAC2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
SMILESCCc1ncc(NCCN)c(-c2ccccc2O)n1
InChIInChI=1S/C14H18N4O/c1-2-13-17-9-11(16-8-7-15)14(18-13)10-5-3-4-6-12(10)19/h3-6,9,16,19H,2,7-8,15H2,1H3
InChIKeyBFOCUDMPFTWKCE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.78
Rot. Bonds5

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

2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol (PubChem CID 136934549) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
PubChem CID136934549
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
SMILESCCc1ncc(NCCN)c(-c2ccccc2O)n1
InChIInChI=1S/C14H18N4O/c1-2-13-17-9-11(16-8-7-15)14(18-13)10-5-3-4-6-12(10)19/h3-6,9,16,19H,2,7-8,15H2,1H3
InChIKeyBFOCUDMPFTWKCE-UHFFFAOYSA-N
XLogP1.78
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-aminoethylamino)pyrimidin-4-yl]phenol
CID 136934491
N'-[4-(3-chlorophenyl)-2-ethylpyrimidin-5-yl]propane-1,3-diamine
CID 117211767
2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 136934476
2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 136934611
N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211827
N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine
CID 117212191
N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211831
N'-[4-methyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212333
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 135874559
N'-[2-(2-methylphenyl)-4-phenylpyrimidin-5-yl]propane-1,3-diamine
CID 117211758
N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211188

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol (CID 136934549) is 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol is CCc1ncc(NCCN)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol?
The InChIKey is BFOCUDMPFTWKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-13-17-9-11(16-8-7-15)14(18-13)10-5-3-4-6-12(10)19/h3-6,9,16,19H,2,7-8,15H2,1H3.
What are the key properties of 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol?
2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol has a molecular weight of 258.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol is sourced from PubChem (CID 136934549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).