5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine

C24H24N6 — CID 67470585

IUPAC5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc2cc(Cc3nc(N)nc(N)c3Cc3ccc4[nH]c(C)cc4c3)ccc2[nH]1
InChIInChI=1S/C24H24N6/c1-13-7-17-9-15(3-5-20(17)27-13)11-19-22(29-24(26)30-23(19)25)12-16-4-6-21-18(10-16)8-14(2)28-21/h3-10,27-28H,11-12H2,1-2H3,(H4,25,26,29,30)
InChIKeyKLYFMVCGYKNCFZ-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.40
Rot. Bonds4

About 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine

5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 67470585) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID67470585
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc2cc(Cc3nc(N)nc(N)c3Cc3ccc4[nH]c(C)cc4c3)ccc2[nH]1
InChIInChI=1S/C24H24N6/c1-13-7-17-9-15(3-5-20(17)27-13)11-19-22(29-24(26)30-23(19)25)12-16-4-6-21-18(10-16)8-14(2)28-21/h3-10,27-28H,11-12H2,1-2H3,(H4,25,26,29,30)
InChIKeyKLYFMVCGYKNCFZ-UHFFFAOYSA-N
XLogP4.40
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine (CID 67470585) is 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cc2cc(Cc3nc(N)nc(N)c3Cc3ccc4[nH]c(C)cc4c3)ccc2[nH]1.
What is the InChIKey of 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KLYFMVCGYKNCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-13-7-17-9-15(3-5-20(17)27-13)11-19-22(29-24(26)30-23(19)25)12-16-4-6-21-18(10-16)8-14(2)28-21/h3-10,27-28H,11-12H2,1-2H3,(H4,25,26,29,30).
What are the key properties of 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine?
5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 396.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67470585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).