7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione

C19H19N5O2S — CID 11494666

IUPAC7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(-c2c(CN)c(N)nc3c2c(=O)n(C)c(=O)n3C)sc2ccccc12
InChIInChI=1S/C19H19N5O2S/c1-9-10-6-4-5-7-12(10)27-15(9)13-11(8-20)16(21)22-17-14(13)18(25)24(3)19(26)23(17)2/h4-7H,8,20H2,1-3H3,(H2,21,22)
InChIKeyYEWACWFQUSSPGZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP1.86
Rot. Bonds2

About 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione

7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11494666) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11494666
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(-c2c(CN)c(N)nc3c2c(=O)n(C)c(=O)n3C)sc2ccccc12
InChIInChI=1S/C19H19N5O2S/c1-9-10-6-4-5-7-12(10)27-15(9)13-11(8-20)16(21)22-17-14(13)18(25)24(3)19(26)23(17)2/h4-7H,8,20H2,1-3H3,(H2,21,22)
InChIKeyYEWACWFQUSSPGZ-UHFFFAOYSA-N
XLogP1.86
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23658223
(S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925626
(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 9908485
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 11951728
4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 11952439
(E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(1'-methyl-7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23657952
(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(1'-methyl-7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23658252
4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 69011075
2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride
CID 42625706
6-[(E)-3-[3-(3-methyl-1-benzothiophen-2-yl)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118710283
1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24677093

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 11494666) is 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1c(-c2c(CN)c(N)nc3c2c(=O)n(C)c(=O)n3C)sc2ccccc12.
What is the InChIKey of 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YEWACWFQUSSPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-9-10-6-4-5-7-12(10)27-15(9)13-11(8-20)16(21)22-17-14(13)18(25)24(3)19(26)23(17)2/h4-7H,8,20H2,1-3H3,(H2,21,22).
What are the key properties of 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 381.46 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11494666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).