N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

C19H25N5O3 — CID 91939644

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1OC
InChIInChI=1S/C19H25N5O3/c1-23(2)18-14(12-20-19(22-18)24(3)4)21-17(25)10-8-13-7-9-15(26-5)16(11-13)27-6/h7-12H,1-6H3,(H,21,25)
InChIKeyGXPBVYXOYUCXOU-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.28
Rot. Bonds7

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 91939644) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID91939644
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1OC
InChIInChI=1S/C19H25N5O3/c1-23(2)18-14(12-20-19(22-18)24(3)4)21-17(25)10-8-13-7-9-15(26-5)16(11-13)27-6/h7-12H,1-6H3,(H,21,25)
InChIKeyGXPBVYXOYUCXOU-UHFFFAOYSA-N
XLogP2.28
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enamide
CID 71789950
3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enamide
CID 71960697
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122319992
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide
CID 99829546
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
CID 2331797
(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 2426610

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 91939644) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1OC.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is GXPBVYXOYUCXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23(2)18-14(12-20-19(22-18)24(3)4)21-17(25)10-8-13-7-9-15(26-5)16(11-13)27-6/h7-12H,1-6H3,(H,21,25).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 371.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 91939644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).