6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine

C21H23N5 — CID 46225972

IUPAC6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(NCc2ccc3c(c2)CCN3C)n1
InChIInChI=1S/C21H23N5/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/h3-9,12-13H,10-11,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyCFNRVSVOWJJKDH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.13
Rot. Bonds5

About 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine

6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 46225972) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine
PubChem CID46225972
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(NCc2ccc3c(c2)CCN3C)n1
InChIInChI=1S/C21H23N5/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/h3-9,12-13H,10-11,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyCFNRVSVOWJJKDH-UHFFFAOYSA-N
XLogP4.13
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine (CID 46225972) is 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2)nc(NCc2ccc3c(c2)CCN3C)n1.
What is the InChIKey of 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is CFNRVSVOWJJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/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/h3-9,12-13H,10-11,14H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 345.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 46225972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).