5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride

C19H20ClN5 — CID 44523360

IUPAC5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
SMILESCCn1c2ccccc2c2cc(Cc3cnc(N)nc3N)ccc21.Cl
InChIInChI=1S/C19H19N5.ClH/c1-2-24-16-6-4-3-5-14(16)15-10-12(7-8-17(15)24)9-13-11-22-19(21)23-18(13)20;/h3-8,10-11H,2,9H2,1H3,(H4,20,21,22,23);1H
InChIKeyJJGRLLHRFBQKIJ-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.78
Rot. Bonds3

About 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride

5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44523360) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44523360
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
SMILESCCn1c2ccccc2c2cc(Cc3cnc(N)nc3N)ccc21.Cl
InChIInChI=1S/C19H19N5.ClH/c1-2-24-16-6-4-3-5-14(16)15-10-12(7-8-17(15)24)9-13-11-22-19(21)23-18(13)20;/h3-8,10-11H,2,9H2,1H3,(H4,20,21,22,23);1H
InChIKeyJJGRLLHRFBQKIJ-UHFFFAOYSA-N
XLogP3.78
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride (CID 44523360) is 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride is CCn1c2ccccc2c2cc(Cc3cnc(N)nc3N)ccc21.Cl.
What is the InChIKey of 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is JJGRLLHRFBQKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5.ClH/c1-2-24-16-6-4-3-5-14(16)15-10-12(7-8-17(15)24)9-13-11-22-19(21)23-18(13)20;/h3-8,10-11H,2,9H2,1H3,(H4,20,21,22,23);1H.
What are the key properties of 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride?
5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 353.86 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9-ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44523360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).