N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H21N5OS — CID 103334678

IUPACN-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)CCOCC3CC3)nc(NN)nc2s1
InChIInChI=1S/C14H21N5OS/c1-9-7-11-12(16-14(18-15)17-13(11)21-9)19(2)5-6-20-8-10-3-4-10/h7,10H,3-6,8,15H2,1-2H3,(H,16,17,18)
InChIKeyRJAHACLMDXFGSA-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334678) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103334678
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)CCOCC3CC3)nc(NN)nc2s1
InChIInChI=1S/C14H21N5OS/c1-9-7-11-12(16-14(18-15)17-13(11)21-9)19(2)5-6-20-8-10-3-4-10/h7,10H,3-6,8,15H2,1-2H3,(H,16,17,18)
InChIKeyRJAHACLMDXFGSA-UHFFFAOYSA-N
XLogP2.15
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 103334678) is N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N(C)CCOCC3CC3)nc(NN)nc2s1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RJAHACLMDXFGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9-7-11-12(16-14(18-15)17-13(11)21-9)19(2)5-6-20-8-10-3-4-10/h7,10H,3-6,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).