N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C11H11N5S — CID 103853810

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2ccsc12)c1cn[nH]c1
InChIInChI=1S/C11H11N5S/c1-7(8-4-14-15-5-8)16-11-10-9(2-3-17-10)12-6-13-11/h2-7H,1H3,(H,14,15)(H,12,13,16)
InChIKeyBYKBCRGHSZHYKI-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.59
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 103853810) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID103853810
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2ccsc12)c1cn[nH]c1
InChIInChI=1S/C11H11N5S/c1-7(8-4-14-15-5-8)16-11-10-9(2-3-17-10)12-6-13-11/h2-7H,1H3,(H,14,15)(H,12,13,16)
InChIKeyBYKBCRGHSZHYKI-UHFFFAOYSA-N
XLogP2.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine
CID 106217108
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 61000868
N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 103578173
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17450208
N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 42926398
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790358
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 103853822

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 103853810) is N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is CC(Nc1ncnc2ccsc12)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BYKBCRGHSZHYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7(8-4-14-15-5-8)16-11-10-9(2-3-17-10)12-6-13-11/h2-7H,1H3,(H,14,15)(H,12,13,16).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 245.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 103853810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).