[2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol

C20H21N5O2 — CID 155518544

IUPAC[2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccc(OC3CC3)cc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C20H21N5O2/c21-19-23-18(17-4-2-1-3-14(17)12-26)24-20(25-19)22-11-13-5-7-15(8-6-13)27-16-9-10-16/h1-8,16,26H,9-12H2,(H3,21,22,23,24,25)
InChIKeyXNOMRTSAMXNMQF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.77
Rot. Bonds7

About [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol

[2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 155518544) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID155518544
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccc(OC3CC3)cc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C20H21N5O2/c21-19-23-18(17-4-2-1-3-14(17)12-26)24-20(25-19)22-11-13-5-7-15(8-6-13)27-16-9-10-16/h1-8,16,26H,9-12H2,(H3,21,22,23,24,25)
InChIKeyXNOMRTSAMXNMQF-UHFFFAOYSA-N
XLogP2.77
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol with MolForge

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Related Compounds

(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol
CID 139030523
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
CID 127036397
CID 127036397
6-(4-Phenoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 745052
2-[2-Methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599447
2-[5-[4-[2-[4-(Fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599709
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 118986944
2-[3-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 118986973
2-[5-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol
CID 118986974
2-[2-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol
CID 118986975
6-[4-(3,4-Dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 2047338

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (CID 155518544) is [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is Nc1nc(NCc2ccc(OC3CC3)cc2)nc(-c2ccccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is XNOMRTSAMXNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-19-23-18(17-4-2-1-3-14(17)12-26)24-20(25-19)22-11-13-5-7-15(8-6-13)27-16-9-10-16/h1-8,16,26H,9-12H2,(H3,21,22,23,24,25).
What are the key properties of [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
[2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 363.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 155518544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).