3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol

C18H27N5O2 — CID 126787453

IUPAC3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CCO)Nc2nc(C(C)C)nc(N(C)C)n2)cc1
InChIInChI=1S/C18H27N5O2/c1-12(2)16-20-17(22-18(21-16)23(3)4)19-15(10-11-24)13-6-8-14(25-5)9-7-13/h6-9,12,15,24H,10-11H2,1-5H3,(H,19,20,21,22)
InChIKeyQRIFWKSHRRTEOS-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.61
Rot. Bonds8

About 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol

3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 126787453) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol
PubChem CID126787453
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CCO)Nc2nc(C(C)C)nc(N(C)C)n2)cc1
InChIInChI=1S/C18H27N5O2/c1-12(2)16-20-17(22-18(21-16)23(3)4)19-15(10-11-24)13-6-8-14(25-5)9-7-13/h6-9,12,15,24H,10-11H2,1-5H3,(H,19,20,21,22)
InChIKeyQRIFWKSHRRTEOS-UHFFFAOYSA-N
XLogP2.61
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol (CID 126787453) is 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(CCO)Nc2nc(C(C)C)nc(N(C)C)n2)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is QRIFWKSHRRTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)16-20-17(22-18(21-16)23(3)4)19-15(10-11-24)13-6-8-14(25-5)9-7-13/h6-9,12,15,24H,10-11H2,1-5H3,(H,19,20,21,22).
What are the key properties of 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol?
3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 345.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 126787453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).