2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol

C15H21N5O — CID 143569347

IUPAC2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol
SMILESCC[C@@H](N)CNc1cc(N)nc(-c2cc(C)ccc2O)n1
InChIInChI=1S/C15H21N5O/c1-3-10(16)8-18-14-7-13(17)19-15(20-14)11-6-9(2)4-5-12(11)21/h4-7,10,21H,3,8,16H2,1-2H3,(H3,17,18,19,20)/t10-/m1/s1
InChIKeyQSAWDNJPYKNIRE-SNVBAGLBSA-N
MW287.37 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol

2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol (PubChem CID 143569347) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol
PubChem CID143569347
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol
SMILESCC[C@@H](N)CNc1cc(N)nc(-c2cc(C)ccc2O)n1
InChIInChI=1S/C15H21N5O/c1-3-10(16)8-18-14-7-13(17)19-15(20-14)11-6-9(2)4-5-12(11)21/h4-7,10,21H,3,8,16H2,1-2H3,(H3,17,18,19,20)/t10-/m1/s1
InChIKeyQSAWDNJPYKNIRE-SNVBAGLBSA-N
XLogP1.89
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652
2-(2-aminobutylamino)-4-methylbenzonitrile
CID 63731405
2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
CID 137306954
2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine
CID 137483617
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
4-[3-[4-[[(2R)-2-amino-4-methylpentyl]amino]pyrimidin-2-yl]-4-hydroxyphenyl]benzoic acid
CID 140539784
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839670
2-(2-amino-4-pyridinyl)-4-methylphenol
CID 136636104
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
CID 136983308
N-(2-aminobutyl)-3-bromo-5-methylbenzamide
CID 115999631

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol?
The IUPAC name of 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol (CID 143569347) is 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol.
What is the SMILES notation for 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol?
The canonical SMILES for 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol is CC[C@@H](N)CNc1cc(N)nc(-c2cc(C)ccc2O)n1.
What is the InChIKey of 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol?
The InChIKey is QSAWDNJPYKNIRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-10(16)8-18-14-7-13(17)19-15(20-14)11-6-9(2)4-5-12(11)21/h4-7,10,21H,3,8,16H2,1-2H3,(H3,17,18,19,20)/t10-/m1/s1.
What are the key properties of 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol?
2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol has a molecular weight of 287.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-methylphenol is sourced from PubChem (CID 143569347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).