2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

C24H25N7O2 — CID 53477433

IUPAC2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
SMILESCCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)n1
InChIInChI=1S/C24H25N7O2/c1-2-32-24-27-20(25)14-21(28-24)33-17-12-10-16(11-13-17)22-29-23(31-30-22)26-19-9-5-7-15-6-3-4-8-18(15)19/h5,7,9-14H,2-4,6,8H2,1H3,(H2,25,27,28)(H2,26,29,30,31)
InChIKeyQNNQOPCJXKHJMT-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.66
Rot. Bonds7

About 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (PubChem CID 53477433) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
PubChem CID53477433
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
SMILESCCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)n1
InChIInChI=1S/C24H25N7O2/c1-2-32-24-27-20(25)14-21(28-24)33-17-12-10-16(11-13-17)22-29-23(31-30-22)26-19-9-5-7-15-6-3-4-8-18(15)19/h5,7,9-14H,2-4,6,8H2,1H3,(H2,25,27,28)(H2,26,29,30,31)
InChIKeyQNNQOPCJXKHJMT-UHFFFAOYSA-N
XLogP4.66
TPSA123.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The IUPAC name of 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (CID 53477433) is 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The canonical SMILES for 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)n1.
What is the InChIKey of 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The InChIKey is QNNQOPCJXKHJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-2-32-24-27-20(25)14-21(28-24)33-17-12-10-16(11-13-17)22-29-23(31-30-22)26-19-9-5-7-15-6-3-4-8-18(15)19/h5,7,9-14H,2-4,6,8H2,1H3,(H2,25,27,28)(H2,26,29,30,31).
What are the key properties of 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine has a molecular weight of 443.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 53477433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).