N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C12H15N5S — CID 80896481

IUPACN-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1cc(N(Cc2ccsc2)C2CC2)ncn1
InChIInChI=1S/C12H15N5S/c13-16-11-5-12(15-8-14-11)17(10-1-2-10)6-9-3-4-18-7-9/h3-5,7-8,10H,1-2,6,13H2,(H,14,15,16)
InChIKeyFHPLRMWGMJTJHZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.99
Rot. Bonds5

About N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80896481) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID80896481
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1cc(N(Cc2ccsc2)C2CC2)ncn1
InChIInChI=1S/C12H15N5S/c13-16-11-5-12(15-8-14-11)17(10-1-2-10)6-9-3-4-18-7-9/h3-5,7-8,10H,1-2,6,13H2,(H,14,15,16)
InChIKeyFHPLRMWGMJTJHZ-UHFFFAOYSA-N
XLogP1.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62470809
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
CID 80779786
N-cyclopropyl-6-hydrazinyl-N-propylpyrimidin-4-amine
CID 80895552
N-cyclopropyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 56799553
N-cyclopropyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379600
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine
CID 61433950
6-hydrazinyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80897852
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine
CID 80798980
5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107081264

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 80896481) is N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is NNc1cc(N(Cc2ccsc2)C2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is FHPLRMWGMJTJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c13-16-11-5-12(15-8-14-11)17(10-1-2-10)6-9-3-4-18-7-9/h3-5,7-8,10H,1-2,6,13H2,(H,14,15,16).
What are the key properties of N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80896481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).