ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate

C18H18N6O2 — CID 110178368

IUPACethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
SMILESCCOC(=O)Nc1cnc(Nc2ccc(Nc3ccccc3)nc2)nc1
InChIInChI=1S/C18H18N6O2/c1-2-26-18(25)24-15-11-20-17(21-12-15)23-14-8-9-16(19-10-14)22-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,22)(H,24,25)(H,20,21,23)
InChIKeySYFSEJLXQZKPNU-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.93
Rot. Bonds6

About ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate

ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate (PubChem CID 110178368) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
PubChem CID110178368
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Nameethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
SMILESCCOC(=O)Nc1cnc(Nc2ccc(Nc3ccccc3)nc2)nc1
InChIInChI=1S/C18H18N6O2/c1-2-26-18(25)24-15-11-20-17(21-12-15)23-14-8-9-16(19-10-14)22-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,22)(H,24,25)(H,20,21,23)
InChIKeySYFSEJLXQZKPNU-UHFFFAOYSA-N
XLogP3.93
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate
CID 110178694
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
[[6-[3-(ethoxycarbonylamino)anilino]-3-pyridinyl]amino] propanoate
CID 110177011
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate?
The IUPAC name of ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate (CID 110178368) is ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate?
The canonical SMILES for ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate is CCOC(=O)Nc1cnc(Nc2ccc(Nc3ccccc3)nc2)nc1.
What is the InChIKey of ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate?
The InChIKey is SYFSEJLXQZKPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-26-18(25)24-15-11-20-17(21-12-15)23-14-8-9-16(19-10-14)22-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,22)(H,24,25)(H,20,21,23).
What are the key properties of ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate?
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate has a molecular weight of 350.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate is sourced from PubChem (CID 110178368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).