4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine

C21H27N5 — CID 46225977

IUPAC4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NCc2ccc3c(ccn3C)c2)n1
InChIInChI=1S/C21H27N5/c1-15-12-20(24-18-6-4-3-5-7-18)25-21(23-15)22-14-16-8-9-19-17(13-16)10-11-26(19)2/h8-13,18H,3-7,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyWTCAILNNWPLXEC-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.63
Rot. Bonds5

About 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 46225977) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID46225977
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NCc2ccc3c(ccn3C)c2)n1
InChIInChI=1S/C21H27N5/c1-15-12-20(24-18-6-4-3-5-7-18)25-21(23-15)22-14-16-8-9-19-17(13-16)10-11-26(19)2/h8-13,18H,3-7,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyWTCAILNNWPLXEC-UHFFFAOYSA-N
XLogP4.63
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine (CID 46225977) is 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(NCc2ccc3c(ccn3C)c2)n1.
What is the InChIKey of 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WTCAILNNWPLXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-15-12-20(24-18-6-4-3-5-7-18)25-21(23-15)22-14-16-8-9-19-17(13-16)10-11-26(19)2/h8-13,18H,3-7,14H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 349.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 46225977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).