N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide

C16H19N5O — CID 90190020

IUPACN-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)c(-c2cc(NCC)nc(N)n2)c1
InChIInChI=1S/C16H19N5O/c1-4-15(22)19-11-7-6-10(3)12(8-11)13-9-14(18-5-2)21-16(17)20-13/h4,6-9H,1,5H2,2-3H3,(H,19,22)(H3,17,18,20,21)
InChIKeyCSYWGZBCVDORAX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.59
Rot. Bonds5

About N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide

N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide (PubChem CID 90190020) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
PubChem CID90190020
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)c(-c2cc(NCC)nc(N)n2)c1
InChIInChI=1S/C16H19N5O/c1-4-15(22)19-11-7-6-10(3)12(8-11)13-9-14(18-5-2)21-16(17)20-13/h4,6-9H,1,5H2,2-3H3,(H,19,22)(H3,17,18,20,21)
InChIKeyCSYWGZBCVDORAX-UHFFFAOYSA-N
XLogP2.59
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
CID 118642231
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90190210
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-(4-methyl-3-thiophen-3-ylphenyl)prop-2-enamide
CID 166408377
N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
CID 82504711
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
1-(3-chloro-4-methylphenyl)-3-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]urea
CID 121074936
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
4-N-(2-aminoethyl)-6-(2-methyl-5-phenylphenyl)pyrimidine-2,4-diamine;ethylbenzene
CID 142190147
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide?
The IUPAC name of N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide (CID 90190020) is N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C)c(-c2cc(NCC)nc(N)n2)c1.
What is the InChIKey of N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide?
The InChIKey is CSYWGZBCVDORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-4-15(22)19-11-7-6-10(3)12(8-11)13-9-14(18-5-2)21-16(17)20-13/h4,6-9H,1,5H2,2-3H3,(H,19,22)(H3,17,18,20,21).
What are the key properties of N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide?
N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide has a molecular weight of 297.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide is sourced from PubChem (CID 90190020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).