4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol

C16H22N4O — CID 80776341

IUPAC4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCCCNc1cc(NCCc2ccc(O)cc2)nc(C)n1
InChIInChI=1S/C16H22N4O/c1-3-9-17-15-11-16(20-12(2)19-15)18-10-8-13-4-6-14(21)7-5-13/h4-7,11,21H,3,8-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyJQGYOSXXBOIKAL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.97
Rot. Bonds7

About 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 80776341) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID80776341
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCCCNc1cc(NCCc2ccc(O)cc2)nc(C)n1
InChIInChI=1S/C16H22N4O/c1-3-9-17-15-11-16(20-12(2)19-15)18-10-8-13-4-6-14(21)7-5-13/h4-7,11,21H,3,8-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyJQGYOSXXBOIKAL-UHFFFAOYSA-N
XLogP2.97
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80933216
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780616
2-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80831369
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol (CID 80776341) is 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol is CCCNc1cc(NCCc2ccc(O)cc2)nc(C)n1.
What is the InChIKey of 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is JQGYOSXXBOIKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-17-15-11-16(20-12(2)19-15)18-10-8-13-4-6-14(21)7-5-13/h4-7,11,21H,3,8-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 286.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 80776341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).