4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol

C18H20N6O — CID 117086266

IUPAC4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESNc1nc(NCCc2ccc(O)cc2)cc(NCc2cccnc2)n1
InChIInChI=1S/C18H20N6O/c19-18-23-16(21-9-7-13-3-5-15(25)6-4-13)10-17(24-18)22-12-14-2-1-8-20-11-14/h1-6,8,10-11,25H,7,9,12H2,(H4,19,21,22,23,24)
InChIKeySYGKJEPMSQXPQU-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.43
Rot. Bonds7

About 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117086266) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117086266
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESNc1nc(NCCc2ccc(O)cc2)cc(NCc2cccnc2)n1
InChIInChI=1S/C18H20N6O/c19-18-23-16(21-9-7-13-3-5-15(25)6-4-13)10-17(24-18)22-12-14-2-1-8-20-11-14/h1-6,8,10-11,25H,7,9,12H2,(H4,19,21,22,23,24)
InChIKeySYGKJEPMSQXPQU-UHFFFAOYSA-N
XLogP2.43
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791275
4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117087556
4-[2-[[2-amino-6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117091764
4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082432
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
4-[2-[[4-[4-[(pyridin-3-ylmethylamino)methyl]-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 163973671
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117082288
4-[2-[[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086809
4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117082741

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol (CID 117086266) is 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol is Nc1nc(NCCc2ccc(O)cc2)cc(NCc2cccnc2)n1.
What is the InChIKey of 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is SYGKJEPMSQXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-18-23-16(21-9-7-13-3-5-15(25)6-4-13)10-17(24-18)22-12-14-2-1-8-20-11-14/h1-6,8,10-11,25H,7,9,12H2,(H4,19,21,22,23,24).
What are the key properties of 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 336.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117086266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).