5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine

C25H26N6O — CID 67471155

IUPAC5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc2c(c1)c(CCNc1ncc(Cc3ccc4[nH]ccc4c3)c(N)n1)cn2C
InChIInChI=1S/C25H26N6O/c1-31-15-18(21-13-20(32-2)4-6-23(21)31)8-10-28-25-29-14-19(24(26)30-25)12-16-3-5-22-17(11-16)7-9-27-22/h3-7,9,11,13-15,27H,8,10,12H2,1-2H3,(H3,26,28,29,30)
InChIKeyVYAAODZFIDVCFC-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.29
Rot. Bonds7

About 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine

5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 67471155) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID67471155
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc2c(c1)c(CCNc1ncc(Cc3ccc4[nH]ccc4c3)c(N)n1)cn2C
InChIInChI=1S/C25H26N6O/c1-31-15-18(21-13-20(32-2)4-6-23(21)31)8-10-28-25-29-14-19(24(26)30-25)12-16-3-5-22-17(11-16)7-9-27-22/h3-7,9,11,13-15,27H,8,10,12H2,1-2H3,(H3,26,28,29,30)
InChIKeyVYAAODZFIDVCFC-UHFFFAOYSA-N
XLogP4.29
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 89485084
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole
CID 70037660
4-N-(1H-indol-5-ylmethyl)-2-N-[2-(5-phenoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 123644006
2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452352
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide
CID 66549864
5-methoxyindol-1-amine;5-methoxy-1H-indole
CID 160670246

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 67471155) is 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine is COc1ccc2c(c1)c(CCNc1ncc(Cc3ccc4[nH]ccc4c3)c(N)n1)cn2C.
What is the InChIKey of 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is VYAAODZFIDVCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-31-15-18(21-13-20(32-2)4-6-23(21)31)8-10-28-25-29-14-19(24(26)30-25)12-16-3-5-22-17(11-16)7-9-27-22/h3-7,9,11,13-15,27H,8,10,12H2,1-2H3,(H3,26,28,29,30).
What are the key properties of 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine?
5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 426.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-ylmethyl)-2-N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67471155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).