5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine

C21H22N4 — CID 59777611

IUPAC5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2)nc1Nc1ccc2c(c1)C(C)CC2
InChIInChI=1S/C21H22N4/c1-14-8-9-16-10-11-18(12-19(14)16)23-20-15(2)13-22-21(25-20)24-17-6-4-3-5-7-17/h3-7,10-14H,8-9H2,1-2H3,(H2,22,23,24,25)
InChIKeyNTLVXOVVRHLBHY-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.32
Rot. Bonds4

About 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine

5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 59777611) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID59777611
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2)nc1Nc1ccc2c(c1)C(C)CC2
InChIInChI=1S/C21H22N4/c1-14-8-9-16-10-11-18(12-19(14)16)23-20-15(2)13-22-21(25-20)24-17-6-4-3-5-7-17/h3-7,10-14H,8-9H2,1-2H3,(H2,22,23,24,25)
InChIKeyNTLVXOVVRHLBHY-UHFFFAOYSA-N
XLogP5.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine (CID 59777611) is 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccccc2)nc1Nc1ccc2c(c1)C(C)CC2.
What is the InChIKey of 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is NTLVXOVVRHLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-14-8-9-16-10-11-18(12-19(14)16)23-20-15(2)13-22-21(25-20)24-17-6-4-3-5-7-17/h3-7,10-14H,8-9H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine?
5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 330.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 59777611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).