6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine

C17H19ClN4O — CID 135376643

IUPAC6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1nc(Cl)cc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C17H19ClN4O/c1-11(2)23-17-21-15(18)9-16(22-17)19-8-7-12-10-20-14-6-4-3-5-13(12)14/h3-6,9-11,20H,7-8H2,1-2H3,(H,19,21,22)
InChIKeyDXESLYBDVVUNJF-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.05
Rot. Bonds6

About 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine

6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine (PubChem CID 135376643) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine
PubChem CID135376643
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1nc(Cl)cc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C17H19ClN4O/c1-11(2)23-17-21-15(18)9-16(22-17)19-8-7-12-10-20-14-6-4-3-5-13(12)14/h3-6,9-11,20H,7-8H2,1-2H3,(H,19,21,22)
InChIKeyDXESLYBDVVUNJF-UHFFFAOYSA-N
XLogP4.05
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191184
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
CID 54260739
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880267
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935022
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine (CID 135376643) is 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1nc(Cl)cc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine?
The InChIKey is DXESLYBDVVUNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-11(2)23-17-21-15(18)9-16(22-17)19-8-7-12-10-20-14-6-4-3-5-13(12)14/h3-6,9-11,20H,7-8H2,1-2H3,(H,19,21,22).
What are the key properties of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine?
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine has a molecular weight of 330.82 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 135376643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).