N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine

C15H18N4 — CID 80648880

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2cccc3c2NCC3)n1
InChIInChI=1S/C15H18N4/c1-11-17-8-6-14(19-11)10-16-9-13-4-2-3-12-5-7-18-15(12)13/h2-4,6,8,16,18H,5,7,9-10H2,1H3
InChIKeyKNTXEKMQVPLGJE-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.04
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 80648880) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID80648880
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2cccc3c2NCC3)n1
InChIInChI=1S/C15H18N4/c1-11-17-8-6-14(19-11)10-16-9-13-4-2-3-12-5-7-18-15(12)13/h2-4,6,8,16,18H,5,7,9-10H2,1H3
InChIKeyKNTXEKMQVPLGJE-UHFFFAOYSA-N
XLogP2.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 80649847
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methyl-4-pyridinyl)methanamine
CID 114699338
1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 80649049
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
CID 80648714
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053
1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80648411
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894370

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine (CID 80648880) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(CNCc2cccc3c2NCC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is KNTXEKMQVPLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-17-8-6-14(19-11)10-16-9-13-4-2-3-12-5-7-18-15(12)13/h2-4,6,8,16,18H,5,7,9-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 254.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 80648880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).