5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine

C16H17Cl2N5O — CID 171572982

IUPAC5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESNCCOc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H17Cl2N5O/c17-14-13(24-8-6-19)15(23-16(18)22-14)20-7-5-10-9-21-12-4-2-1-3-11(10)12/h1-4,9,21H,5-8,19H2,(H,20,22,23)
InChIKeyITOSFRFKVFCJOP-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.26
Rot. Bonds7

About 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine

5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 171572982) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID171572982
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC Name5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESNCCOc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H17Cl2N5O/c17-14-13(24-8-6-19)15(23-16(18)22-14)20-7-5-10-9-21-12-4-2-1-3-11(10)12/h1-4,9,21H,5-8,19H2,(H,20,22,23)
InChIKeyITOSFRFKVFCJOP-UHFFFAOYSA-N
XLogP3.26
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine 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

5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572985
5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
CID 171572995
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
CID 146598277
2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine
CID 171573132
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82455159
5-(2-aminoethoxy)-2,6-dichloro-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572992
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155536111
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 171572982) is 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine is NCCOc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ITOSFRFKVFCJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O/c17-14-13(24-8-6-19)15(23-16(18)22-14)20-7-5-10-9-21-12-4-2-1-3-11(10)12/h1-4,9,21H,5-8,19H2,(H,20,22,23).
What are the key properties of 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine?
5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 366.25 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 171572982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).