N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine

C25H25FN6O — CID 25109474

IUPACN-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine
SMILESFc1ccc2[nH]ccc2c1-c1cc(N2CCOCC2)nc(Nc2ccc3c(c2)CCNC3)n1
InChIInChI=1S/C25H25FN6O/c26-20-3-4-21-19(6-8-28-21)24(20)22-14-23(32-9-11-33-12-10-32)31-25(30-22)29-18-2-1-17-15-27-7-5-16(17)13-18/h1-4,6,8,13-14,27-28H,5,7,9-12,15H2,(H,29,30,31)
InChIKeyCHZDHIJKRRWQLY-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.99
Rot. Bonds4

About N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine

N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine (PubChem CID 25109474) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine.

Molecular Properties

Compound NameN-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine
PubChem CID25109474
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC NameN-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine
SMILESFc1ccc2[nH]ccc2c1-c1cc(N2CCOCC2)nc(Nc2ccc3c(c2)CCNC3)n1
InChIInChI=1S/C25H25FN6O/c26-20-3-4-21-19(6-8-28-21)24(20)22-14-23(32-9-11-33-12-10-32)31-25(30-22)29-18-2-1-17-15-27-7-5-16(17)13-18/h1-4,6,8,13-14,27-28H,5,7,9-12,15H2,(H,29,30,31)
InChIKeyCHZDHIJKRRWQLY-UHFFFAOYSA-N
XLogP3.99
TPSA78.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 25109544
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937384
4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 153389202
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperidin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 58404994
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122288193
3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 122288154
4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide
CID 68703986
4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine
CID 25109300
4-[6-[(4-ethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70957269
(7R)-7-ethyl-2-[5-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 170004519

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine?
The IUPAC name of N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine (CID 25109474) is N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine.
What is the SMILES notation for N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine?
The canonical SMILES for N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine is Fc1ccc2[nH]ccc2c1-c1cc(N2CCOCC2)nc(Nc2ccc3c(c2)CCNC3)n1.
What is the InChIKey of N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine?
The InChIKey is CHZDHIJKRRWQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c26-20-3-4-21-19(6-8-28-21)24(20)22-14-23(32-9-11-33-12-10-32)31-25(30-22)29-18-2-1-17-15-27-7-5-16(17)13-18/h1-4,6,8,13-14,27-28H,5,7,9-12,15H2,(H,29,30,31).
What are the key properties of N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine?
N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine has a molecular weight of 444.51 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine is sourced from PubChem (CID 25109474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).