2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C18H18N6S — CID 59130365

IUPAC2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1cc2nc(NC3CCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1
InChIInChI=1S/C18H18N6S/c1-2-4-12(3-1)21-18-22-15-7-8-25-16(15)17(23-18)20-13-5-6-14-11(9-13)10-19-24-14/h5-10,12H,1-4H2,(H,19,24)(H2,20,21,22,23)
InChIKeyXZVAHRAFAODYJZ-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.67
Rot. Bonds4

About 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 59130365) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID59130365
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1cc2nc(NC3CCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1
InChIInChI=1S/C18H18N6S/c1-2-4-12(3-1)21-18-22-15-7-8-25-16(15)17(23-18)20-13-5-6-14-11(9-13)10-19-24-14/h5-10,12H,1-4H2,(H,19,24)(H2,20,21,22,23)
InChIKeyXZVAHRAFAODYJZ-UHFFFAOYSA-N
XLogP4.67
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 59130283
2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130282
5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one
CID 142265210
4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130295
4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 142265231
4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10216807
2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130336
2-N-[3-cyclopropyl-1-methyl-2-(trifluoromethyl)tetrazole-1,3-diium-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 58988162
4-N-(1H-indazol-5-yl)-2-N-[[3-(iodomethyl)-4-methylphenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 89329732
N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
CID 59130339
2-(5-bromo-2,3-dihydroindol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 59130314
N-(1H-indazol-5-yl)-2-(1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 142265304

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 59130365) is 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is c1cc2nc(NC3CCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.
What is the InChIKey of 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is XZVAHRAFAODYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-2-4-12(3-1)21-18-22-15-7-8-25-16(15)17(23-18)20-13-5-6-14-11(9-13)10-19-24-14/h5-10,12H,1-4H2,(H,19,24)(H2,20,21,22,23).
What are the key properties of 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 350.45 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 59130365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).