N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine

C12H11N5S — CID 173150514

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine
SMILESc1nc(Nc2cc(C3CC3)[nH]n2)c2cscc2n1
InChIInChI=1S/C12H11N5S/c1-2-7(1)9-3-11(17-16-9)15-12-8-4-18-5-10(8)13-6-14-12/h3-7H,1-2H2,(H2,13,14,15,16,17)
InChIKeyHZLXYHYEMYWNRY-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.04
Rot. Bonds3

About N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine (PubChem CID 173150514) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine
PubChem CID173150514
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine
SMILESc1nc(Nc2cc(C3CC3)[nH]n2)c2cscc2n1
InChIInChI=1S/C12H11N5S/c1-2-7(1)9-3-11(17-16-9)15-12-8-4-18-5-10(8)13-6-14-12/h3-7H,1-2H2,(H2,13,14,15,16,17)
InChIKeyHZLXYHYEMYWNRY-UHFFFAOYSA-N
XLogP3.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol
CID 68936759
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 141159470
6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyridine-3-carbonitrile
CID 141152908
N-[5-(4-methoxycyclohexyl)-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
CID 164879760
CID 88969890
CID 88969890
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 10109287
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
CID 90383982
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 134816680
2-(2-chlorophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10271923
2-N-(cyclopropylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 70693804
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
CID 63048865
4-[[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]phenol
CID 143258960

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine (CID 173150514) is N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine is c1nc(Nc2cc(C3CC3)[nH]n2)c2cscc2n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine?
The InChIKey is HZLXYHYEMYWNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-2-7(1)9-3-11(17-16-9)15-12-8-4-18-5-10(8)13-6-14-12/h3-7H,1-2H2,(H2,13,14,15,16,17).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine has a molecular weight of 257.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 173150514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).