5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine

C22H24N6 — CID 10981577

IUPAC5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCC1c2ccc3c4ccccc4n(C)c3c2CCN1Cc1cnc(N)nc1N
InChIInChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26)
InChIKeyKZNVWZDVHNNDIM-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.41
Rot. Bonds2

About 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine

5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 10981577) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID10981577
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCC1c2ccc3c4ccccc4n(C)c3c2CCN1Cc1cnc(N)nc1N
InChIInChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26)
InChIKeyKZNVWZDVHNNDIM-UHFFFAOYSA-N
XLogP3.41
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 10981577) is 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine is CC1c2ccc3c4ccccc4n(C)c3c2CCN1Cc1cnc(N)nc1N.
What is the InChIKey of 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KZNVWZDVHNNDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26).
What are the key properties of 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine?
5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 372.48 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,11-dimethyl-2,4-dihydro-1H-pyrido[4,3-a]carbazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10981577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).