2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine

C22H20N6 — CID 25104141

IUPAC2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
SMILESCc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
InChIInChI=1S/C22H20N6/c1-13-9-15-11-17(3-5-19(15)24-13)26-21-7-8-23-22(28-21)27-18-4-6-20-16(12-18)10-14(2)25-20/h3-12,24-25H,1-2H3,(H2,23,26,27,28)
InChIKeySYWHWWKOIJCMKF-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.54
Rot. Bonds4

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

2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine (PubChem CID 25104141) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
PubChem CID25104141
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
SMILESCc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
InChIInChI=1S/C22H20N6/c1-13-9-15-11-17(3-5-19(15)24-13)26-21-7-8-23-22(28-21)27-18-4-6-20-16(12-18)10-14(2)25-20/h3-12,24-25H,1-2H3,(H2,23,26,27,28)
InChIKeySYWHWWKOIJCMKF-UHFFFAOYSA-N
XLogP5.54
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine (CID 25104141) is 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine is Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1.
What is the InChIKey of 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is SYWHWWKOIJCMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-13-9-15-11-17(3-5-19(15)24-13)26-21-7-8-23-22(28-21)27-18-4-6-20-16(12-18)10-14(2)25-20/h3-12,24-25H,1-2H3,(H2,23,26,27,28).
What are the key properties of 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 368.44 g/mol, XLogP of 5.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25104141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).