N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H18ClN5 — CID 23282737

IUPACN-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCNc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)cc1
InChIInChI=1S/C20H18ClN5/c1-2-22-15-8-6-13(7-9-15)18-11-17-19(23-12-24-20(17)26-18)25-16-5-3-4-14(21)10-16/h3-12,22H,2H2,1H3,(H2,23,24,25,26)
InChIKeyHGWSNRCTGXESSV-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.45
Rot. Bonds5

About N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 23282737) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID23282737
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCNc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)cc1
InChIInChI=1S/C20H18ClN5/c1-2-22-15-8-6-13(7-9-15)18-11-17-19(23-12-24-20(17)26-18)25-16-5-3-4-14(21)10-16/h3-12,22H,2H2,1H3,(H2,23,24,25,26)
InChIKeyHGWSNRCTGXESSV-UHFFFAOYSA-N
XLogP5.45
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-ethylurea
CID 54337489
ethyl 3-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoate
CID 23282776
1-[3-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-methylthiourea
CID 54371230
6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 23282803
4-[4-(3-chloro-4-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 69180796
ethyl 4-[4-(3-chloro-4-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoate
CID 69179720
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
3-amino-3-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]pentane-1,5-diol
CID 21262649
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
4-N-(3-chlorophenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487347
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 23282737) is N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCNc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HGWSNRCTGXESSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5/c1-2-22-15-8-6-13(7-9-15)18-11-17-19(23-12-24-20(17)26-18)25-16-5-3-4-14(21)10-16/h3-12,22H,2H2,1H3,(H2,23,24,25,26).
What are the key properties of N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 363.85 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 23282737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).