N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride

C14H17ClN4 — CID 117068779

IUPACN,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride
SMILESCN(C)CCn1c2ccccc2c2cncnc21.Cl
InChIInChI=1S/C14H16N4.ClH/c1-17(2)7-8-18-13-6-4-3-5-11(13)12-9-15-10-16-14(12)18;/h3-6,9-10H,7-8H2,1-2H3;1H
InChIKeyMZFPWDAWGSYBPB-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.57
Rot. Bonds3

About N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride

N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride (PubChem CID 117068779) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride
PubChem CID117068779
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride
SMILESCN(C)CCn1c2ccccc2c2cncnc21.Cl
InChIInChI=1S/C14H16N4.ClH/c1-17(2)7-8-18-13-6-4-3-5-11(13)12-9-15-10-16-14(12)18;/h3-6,9-10H,7-8H2,1-2H3;1H
InChIKeyMZFPWDAWGSYBPB-UHFFFAOYSA-N
XLogP2.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
2-indolo[3,2-c]isoquinolin-11-yl-N,N-dimethylethanamine
CID 170972492
N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine
CID 162388772
N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
CID 54606871
9-[2-(1,3,5-triazin-2-yl)ethyl]carbazole
CID 175163330
N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane
CID 162388867
2-(10,14-dioxa-3,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)-N,N-dimethylethanamine;2-(10,14-dioxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)-N,N-dimethylethanamine;2-(10,14-dioxa-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)-N,N-dimethylethanamine;ethane
CID 162389046
[[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium
CID 3492646
N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
CID 12819464
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
N,N-dimethyl-2-(2-methylimidazo[1,2-a]benzimidazol-4-yl)ethanamine
CID 765712
5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
CID 122186419

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride (CID 117068779) is N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride is CN(C)CCn1c2ccccc2c2cncnc21.Cl.
What is the InChIKey of N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride?
The InChIKey is MZFPWDAWGSYBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4.ClH/c1-17(2)7-8-18-13-6-4-3-5-11(13)12-9-15-10-16-14(12)18;/h3-6,9-10H,7-8H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride?
N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride is sourced from PubChem (CID 117068779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).