ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate

C17H23N5O3 — CID 110180031

IUPACethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
SMILESCCOC(=O)Nc1cnc(N(CC)Cc2ccc(OC)cc2)nc1N
InChIInChI=1S/C17H23N5O3/c1-4-22(11-12-6-8-13(24-3)9-7-12)16-19-10-14(15(18)21-16)20-17(23)25-5-2/h6-10H,4-5,11H2,1-3H3,(H,20,23)(H2,18,19,21)
InChIKeyFGZIOTJWKDVCKZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.66
Rot. Bonds7

About ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate

ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate (PubChem CID 110180031) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
PubChem CID110180031
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Nameethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
SMILESCCOC(=O)Nc1cnc(N(CC)Cc2ccc(OC)cc2)nc1N
InChIInChI=1S/C17H23N5O3/c1-4-22(11-12-6-8-13(24-3)9-7-12)16-19-10-14(15(18)21-16)20-17(23)25-5-2/h6-10H,4-5,11H2,1-3H3,(H,20,23)(H2,18,19,21)
InChIKeyFGZIOTJWKDVCKZ-UHFFFAOYSA-N
XLogP2.66
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[2-[bis[(4-methoxyphenyl)methyl]amino]-6-chloro-3-nitro-4-pyridinyl]carbamate
CID 171429787
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
ethyl N-(5-methoxypyrimidin-2-yl)carbamate
CID 4159152
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 133384169
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate
CID 110179026
ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
CID 67086431

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate?
The IUPAC name of ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate (CID 110180031) is ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate.
What is the SMILES notation for ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate?
The canonical SMILES for ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate is CCOC(=O)Nc1cnc(N(CC)Cc2ccc(OC)cc2)nc1N.
What is the InChIKey of ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate?
The InChIKey is FGZIOTJWKDVCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-22(11-12-6-8-13(24-3)9-7-12)16-19-10-14(15(18)21-16)20-17(23)25-5-2/h6-10H,4-5,11H2,1-3H3,(H,20,23)(H2,18,19,21).
What are the key properties of ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate?
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate is sourced from PubChem (CID 110180031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).