N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H22N6S — CID 103332422

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCC(CNc2nc(NN)nc3sc(C)cc23)C1
InChIInChI=1S/C14H22N6S/c1-3-20-5-4-10(8-20)7-16-12-11-6-9(2)21-13(11)18-14(17-12)19-15/h6,10H,3-5,7-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyAZBNAPCXBAXPCM-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.04
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103332422) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103332422
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCC(CNc2nc(NN)nc3sc(C)cc23)C1
InChIInChI=1S/C14H22N6S/c1-3-20-5-4-10(8-20)7-16-12-11-6-9(2)21-13(11)18-14(17-12)19-15/h6,10H,3-5,7-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyAZBNAPCXBAXPCM-UHFFFAOYSA-N
XLogP2.04
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107415805
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80899426
4-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330634
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
5-bromo-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80789358
5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80789803
4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325288
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103332422) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCN1CCC(CNc2nc(NN)nc3sc(C)cc23)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AZBNAPCXBAXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-3-20-5-4-10(8-20)7-16-12-11-6-9(2)21-13(11)18-14(17-12)19-15/h6,10H,3-5,7-8,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 306.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103332422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).