N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C14H18N4O2S — CID 45220552

IUPACN-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESC=CCNc1ncnc2sc(C(=O)NCC(C)O)c(C)c12
InChIInChI=1S/C14H18N4O2S/c1-4-5-15-12-10-9(3)11(13(20)16-6-8(2)19)21-14(10)18-7-17-12/h4,7-8,19H,1,5-6H2,2-3H3,(H,16,20)(H,15,17,18)
InChIKeyQOVAYLBGOATIQJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.71
Rot. Bonds6

About N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide

N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45220552) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45220552
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESC=CCNc1ncnc2sc(C(=O)NCC(C)O)c(C)c12
InChIInChI=1S/C14H18N4O2S/c1-4-5-15-12-10-9(3)11(13(20)16-6-8(2)19)21-14(10)18-7-17-12/h4,7-8,19H,1,5-6H2,2-3H3,(H,16,20)(H,15,17,18)
InChIKeyQOVAYLBGOATIQJ-UHFFFAOYSA-N
XLogP1.71
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26401099
4-[2-(dimethylamino)ethylamino]-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25290183
N-(2-hydroxy-2-phenylethyl)-N,5-dimethyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 118755794
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 58413307
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
methyl 2-[[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
CID 26276847
[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 26345746
4-[(3-hydroxy-2-methylpropyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 65035176
N-(2-hydroxybutyl)-5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45185176
N-(3-ethoxypropyl)-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42436205

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45220552) is N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide is C=CCNc1ncnc2sc(C(=O)NCC(C)O)c(C)c12.
What is the InChIKey of N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QOVAYLBGOATIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-5-15-12-10-9(3)11(13(20)16-6-8(2)19)21-14(10)18-7-17-12/h4,7-8,19H,1,5-6H2,2-3H3,(H,16,20)(H,15,17,18).
What are the key properties of N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45220552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).