4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine

C16H19N5 — CID 73254465

IUPAC4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H19N5/c1-11-9-15(21-16(17-2)20-11)18-8-7-12-10-19-14-6-4-3-5-13(12)14/h3-6,9-10,19H,7-8H2,1-2H3,(H2,17,18,20,21)
InChIKeyZHWVMOXAZGANGP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds5

About 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 73254465) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID73254465
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H19N5/c1-11-9-15(21-16(17-2)20-11)18-8-7-12-10-19-14-6-4-3-5-13(12)14/h3-6,9-10,19H,7-8H2,1-2H3,(H2,17,18,20,21)
InChIKeyZHWVMOXAZGANGP-UHFFFAOYSA-N
XLogP2.96
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine 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

2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112922394
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919733
2-N-(1,3-benzodioxol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922428
2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 99644863
4-N-(2,4-difluorophenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922491
2-[[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112922493
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910901
4-[4-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914675
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine (CID 73254465) is 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is ZHWVMOXAZGANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-9-15(21-16(17-2)20-11)18-8-7-12-10-19-14-6-4-3-5-13(12)14/h3-6,9-10,19H,7-8H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 73254465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).